2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one

C20H19N5O2 — CID 2880309

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(NC3=NC(c4ccccc4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C20H19N5O2/c1-12-15-10-14(27-2)8-9-16(15)22-19(21-12)25-20-23-17(11-18(26)24-20)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWNSKTLYAZPBULC-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.98
Rot. Bonds3

About 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 2880309) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID2880309
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(NC3=NC(c4ccccc4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C20H19N5O2/c1-12-15-10-14(27-2)8-9-16(15)22-19(21-12)25-20-23-17(11-18(26)24-20)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,21,22,23,24,25,26)
InChIKeyWNSKTLYAZPBULC-UHFFFAOYSA-N
XLogP2.98
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 5329484
2-[(7-Methoxy-4-methylquinazolin-2-yl)amino]-6-phenylpyrimidin-4-ol
CID 135414178
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
CID 2952997
CID 2952997
6-methoxy-N-phenylquinazolin-4-amine
CID 5328186
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
2-chloro-4-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)quinazoline
CID 71542890
LY-456236
CID 9926998
2-((6-Ethoxy-4-methylquinazolin-2-yl)amino)-6-(4-methoxyphenyl)-5,6-dihydropyrimidin-4(3H)-one
CID 3147411
N-benzyl-6-methoxyquinazolin-4-amine
CID 5328029
N-[4-(benzyloxy)phenyl]-6-(prop-2-en-1-yloxy)quinazolin-4-amine
CID 5329485
N-{4-[(4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-yl)oxy]butyl}-2,2,2-trifluoroacetamide
CID 5329488

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one (CID 2880309) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one is COc1ccc2nc(NC3=NC(c4ccccc4)CC(=O)N3)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is WNSKTLYAZPBULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-15-10-14(27-2)8-9-16(15)22-19(21-12)25-20-23-17(11-18(26)24-20)13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H2,21,22,23,24,25,26).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 361.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-phenyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 2880309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).