2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

C16H17N5O2 — CID 135435485

IUPAC2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C16H17N5O2/c1-4-23-11-5-6-13-12(8-11)10(3)18-16(19-13)21-15-17-9(2)7-14(22)20-15/h5-8H,4H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyQEMQLVAVCMAJBF-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.47
Rot. Bonds4

About 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135435485) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135435485
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C16H17N5O2/c1-4-23-11-5-6-13-12(8-11)10(3)18-16(19-13)21-15-17-9(2)7-14(22)20-15/h5-8H,4H2,1-3H3,(H2,17,18,19,20,21,22)
InChIKeyQEMQLVAVCMAJBF-UHFFFAOYSA-N
XLogP2.47
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-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-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135435485) is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is CCOc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QEMQLVAVCMAJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-4-23-11-5-6-13-12(8-11)10(3)18-16(19-13)21-15-17-9(2)7-14(22)20-15/h5-8H,4H2,1-3H3,(H2,17,18,19,20,21,22).
What are the key properties of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 311.35 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135435485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).