2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one

C21H19N5O3 — CID 135645112

IUPAC2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C21H19N5O3/c1-12-15-10-13(28-2)8-9-16(15)23-20(22-12)26-21-24-17(11-19(27)25-21)14-6-4-5-7-18(14)29-3/h4-11H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyJBJYHARDTUAIEL-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.45
Rot. Bonds5

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

2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135645112) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135645112
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one
SMILESCOc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C21H19N5O3/c1-12-15-10-13(28-2)8-9-16(15)23-20(22-12)26-21-24-17(11-19(27)25-21)14-6-4-5-7-18(14)29-3/h4-11H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyJBJYHARDTUAIEL-UHFFFAOYSA-N
XLogP3.45
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762529
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762341
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135435517
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one (CID 135645112) is 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is COc1ccc2nc(Nc3nc(-c4ccccc4OC)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is JBJYHARDTUAIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-12-15-10-13(28-2)8-9-16(15)23-20(22-12)26-21-24-17(11-19(27)25-21)14-6-4-5-7-18(14)29-3/h4-11H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one?
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 389.42 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-(2-methoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135645112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).