2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one

C21H19N5O — CID 135644170

IUPAC2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1
InChIInChI=1S/C21H19N5O/c1-12-4-7-15(8-5-12)18-11-19(27)25-21(24-18)26-20-22-14(3)16-10-13(2)6-9-17(16)23-20/h4-11H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyFISYIMFRFQIEIS-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.05
Rot. Bonds3

About 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one (PubChem CID 135644170) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
PubChem CID135644170
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
SMILESCc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1
InChIInChI=1S/C21H19N5O/c1-12-4-7-15(8-5-12)18-11-19(27)25-21(24-18)26-20-22-14(3)16-10-13(2)6-9-17(16)23-20/h4-11H,1-3H3,(H2,22,23,24,25,26,27)
InChIKeyFISYIMFRFQIEIS-UHFFFAOYSA-N
XLogP4.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135491610
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135786425
4-(3,4-dimethoxyphenyl)-2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135895760
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
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-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-(2-methylphenyl)-1H-pyrimidin-6-one
CID 135895753
2-[(6-chloro-4-phenylquinazolin-2-yl)amino]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 135587487
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
4-(2-methoxyphenyl)-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762529

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one (CID 135644170) is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one is Cc1ccc(-c2cc(=O)[nH]c(Nc3nc(C)c4cc(C)ccc4n3)n2)cc1.
What is the InChIKey of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one?
The InChIKey is FISYIMFRFQIEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-12-4-7-15(8-5-12)18-11-19(27)25-21(24-18)26-20-22-14(3)16-10-13(2)6-9-17(16)23-20/h4-11H,1-3H3,(H2,22,23,24,25,26,27).
What are the key properties of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one?
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one has a molecular weight of 357.42 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135644170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).