TL;DR: 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione (CAS 130332-59-1) is a chemical compound with molecular formula C10H16N4O3 and molecular weight 240.12224 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide
Also Known As: 4-AMINO-5-FORMYLAMINO-3-ISOBUTYL-1-METHYLPYRIMIDINE-2,6-DIONE, N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxopyrimidin-5-yl]formamide, N-(6-Amino-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)formamide, Formamide,N-[6-amino-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-, N-[4-amino-1-methyl-3-(2-methylpropyl)-2,6-dioxo-pyrimidin-5-yl]formamide
| Molecular Formula | C10H16N4O3 |
| Molecular Weight | 240.12224 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.12224 Da |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
| SMILES | CC(C)CN1C(=C(C(=O)N(C1=O)C)NC=O)N |
| InChIKey | LMOKKAVXMYWEOD-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione. Following Lipinski's Rule of Five, 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione is 130332-59-1.
The molecular formula of 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione is C10H16N4O3.
The molecular weight of 4-Amino-5-formylamino-3-isobutyl-1-methylpyrimidine-2,6-dione is 240.12224 g/mol.
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