Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
TL;DR: Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- (CAS 55687-58-6) is a chemical compound with molecular formula C14H15N5O2 and molecular weight 285.1226 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzonitrile
Also Known As: 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzonitrile, 5-25-17-00185 (Beilstein Handbook Reference), Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, J1.575.089H, 2,6-diethoxy-4-formylbenzoic acid ethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H15N5O2 |
| Molecular Weight | 285.1226 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.1226 Da |
| Heavy Atoms | 21 |
| Complexity | 371.0 |
| SMILES | COC1=CC(=CC(=C1C#N)OC)CC2=CN=C(N=C2N)N |
| InChIKey | NVINOPOHEGEHMH-UHFFFAOYSA-N |
Chemical Property Profile of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
Property Insights of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-. Following Lipinski's Rule of Five, Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-?
The CAS number of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 55687-58-6.
What is the molecular formula of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-?
The molecular formula of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is C14H15N5O2.
What is the molecular weight of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-?
The molecular weight of Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- is 285.1226 g/mol.
Where can I buy Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-?
You can request a quote for Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-?
Yes, CoreyChem provides custom synthesis services for Benzonitrile, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.