2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

C14H13N5O — CID 135447236

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1cc(C)nc(Nc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-8-7-9(2)16-13(15-8)19-14-17-11-6-4-3-5-10(11)12(20)18-14/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyLDLAUWFDXOJDRA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.07
Rot. Bonds2

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (PubChem CID 135447236) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
PubChem CID135447236
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one
SMILESCc1cc(C)nc(Nc2nc3ccccc3c(=O)[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-8-7-9(2)16-13(15-8)19-14-17-11-6-4-3-5-10(11)12(20)18-14/h3-7H,1-2H3,(H2,15,16,17,18,19,20)
InChIKeyLDLAUWFDXOJDRA-UHFFFAOYSA-N
XLogP2.07
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,6-diphenylpyrimidin-2-yl)benzamide
CID 11314132
4-bromo-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 705612
7-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)amino]-1H-quinazolin-4-one
CID 135426178
N-(2,6-diphenylpyrimidin-4-yl)benzamide
CID 11245073
2-{[2-(Phenylamino)pyrimidin-4-yl]amino}benzamide
CID 23647253
2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
2,3-Dihydro-3-(6-methyl-2-pyridinyl)-2-thioxo-4(1H)-quinazolinone
CID 2561763
2-[(4,6-Dimethyl-2-quinazolinyl)amino]-4(1H)-quinazolinone
CID 135452104
N-(6-methylpyridin-2-yl)-2-nitrobenzamide
CID 771902
Benzamide, N-[[(4,6-dimethyl-2-pyrimidinyl)amino]thioxomethyl]-
CID 797908
2-(4-Methylphenyl)-3-(6-methylpyridin-2-yl)quinazolin-4-one
CID 829438

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one (CID 135447236) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is Cc1cc(C)nc(Nc2nc3ccccc3c(=O)[nH]2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
The InChIKey is LDLAUWFDXOJDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-8-7-9(2)16-13(15-8)19-14-17-11-6-4-3-5-10(11)12(20)18-14/h3-7H,1-2H3,(H2,15,16,17,18,19,20).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one has a molecular weight of 267.29 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-3H-quinazolin-4-one is sourced from PubChem (CID 135447236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).