4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

C23H23N5O4 — CID 135895760

IUPAC4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C23H23N5O4/c1-5-32-15-7-8-17-16(11-15)13(2)24-22(25-17)28-23-26-18(12-21(29)27-23)14-6-9-19(30-3)20(10-14)31-4/h6-12H,5H2,1-4H3,(H2,24,25,26,27,28,29)
InChIKeyZEXPHUJYUJUZCT-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.85
Rot. Bonds7

About 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one

4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135895760) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135895760
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
SMILESCCOc1ccc2nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C23H23N5O4/c1-5-32-15-7-8-17-16(11-15)13(2)24-22(25-17)28-23-26-18(12-21(29)27-23)14-6-9-19(30-3)20(10-14)31-4/h6-12H,5H2,1-4H3,(H2,24,25,26,27,28,29)
InChIKeyZEXPHUJYUJUZCT-UHFFFAOYSA-N
XLogP3.85
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
CID 135645112
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-6-one
CID 135649614
2-(4-ethoxyanilino)-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135727215
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
5-[(4-chlorophenyl)methyl]-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135659146
6-ethoxy-2-[(4-methyl-6-phenylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
CID 135553794
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one (CID 135895760) is 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is CCOc1ccc2nc(Nc3nc(-c4ccc(OC)c(OC)c4)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ZEXPHUJYUJUZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-5-32-15-7-8-17-16(11-15)13(2)24-22(25-17)28-23-26-18(12-21(29)27-23)14-6-9-19(30-3)20(10-14)31-4/h6-12H,5H2,1-4H3,(H2,24,25,26,27,28,29).
What are the key properties of 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one?
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 433.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135895760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).