TL;DR: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- (CAS 114685-12-0) is a chemical compound with molecular formula C19H22N4 and molecular weight 306.18445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cyclohexyl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
Also Known As: 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl-, N-Cyclohexyl-2-methyl-6-phenyl-5H-pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine, BRN 5766837
| Molecular Formula | C19H22N4 |
| Molecular Weight | 306.18445 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.18445 Da |
| Heavy Atoms | 23 |
| Complexity | 376.0 |
| SMILES | CC1=NC2=C(C(=N1)NC3CCCCC3)NC(=C2)C4=CC=CC=C4 |
| InChIKey | VNKBWHGHQFCBDW-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.6 Ų, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- is 114685-12-0.
The molecular formula of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- is C19H22N4.
The molecular weight of 5H-Pyrrolo(3,2-d)pyrimidin-4-amine, N-cyclohexyl-2-methyl-6-phenyl- is 306.18445 g/mol.
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