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

C22H23N5O3 — CID 3147411

IUPAC2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyKQAQQNMXXWWOOB-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.37
Rot. Bonds5

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

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 3147411) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID3147411
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC Name2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1
InChIInChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28)
InChIKeyKQAQQNMXXWWOOB-UHFFFAOYSA-N
XLogP3.37
TPSA97.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-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

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
Madrasin
CID 135444382
CID 2952997
CID 2952997
N-(3-methoxyphenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl]acetamide
CID 57396557
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
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N-phenylpiperidine-4-carboxamide
CID 44264109
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-6-phenyl-5,6-dihydropyrimidin-4(3H)-one
CID 2880309
Mls000666632
CID 135401499
5-Ethyl-2-(6-methoxy-4-methyl-quinazolin-2-ylamino)-6-methyl-1H-pyrimidin-4-one
CID 135417044
6-[3-(dimethylamino)propoxy]-2-N-(4-fluoro-2-methylphenyl)-4-N-methyl-4-N-phenylquinazoline-2,4-diamine
CID 10389486

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one (CID 3147411) is 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one is CCOc1ccc2nc(NC3=NC(c4ccc(OC)cc4)CC(=O)N3)nc(C)c2c1.
What is the InChIKey of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is KQAQQNMXXWWOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-4-30-16-9-10-18-17(11-16)13(2)23-21(24-18)27-22-25-19(12-20(28)26-22)14-5-7-15(29-3)8-6-14/h5-11,19H,4,12H2,1-3H3,(H2,23,24,25,26,27,28).
What are the key properties of 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one?
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 405.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 3147411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).