2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C15H15N5O2 — CID 777321

IUPAC2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(O)c(C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C15H15N5O2/c1-7-4-5-10-9(3)16-14(17-11(10)6-7)20-15-18-12(21)8(2)13(22)19-15/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyNAHHMIYBXPUZGN-UHFFFAOYSA-N
MW297.32 g/mol
LogP2.09
Rot. Bonds2

About 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 777321) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID777321
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCc1ccc2c(C)nc(Nc3nc(O)c(C)c(=O)[nH]3)nc2c1
InChIInChI=1S/C15H15N5O2/c1-7-4-5-10-9(3)16-14(17-11(10)6-7)20-15-18-12(21)8(2)13(22)19-15/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22)
InChIKeyNAHHMIYBXPUZGN-UHFFFAOYSA-N
XLogP2.09
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 777321) is 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is Cc1ccc2c(C)nc(Nc3nc(O)c(C)c(=O)[nH]3)nc2c1.
What is the InChIKey of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is NAHHMIYBXPUZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-7-4-5-10-9(3)16-14(17-11(10)6-7)20-15-18-12(21)8(2)13(22)19-15/h4-6H,1-3H3,(H3,16,17,18,19,20,21,22).
What are the key properties of 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 297.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,7-dimethylquinazolin-2-yl)amino]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 777321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).