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

C15H15N5O — CID 135491610

IUPAC2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C15H15N5O/c1-8-4-5-12-11(6-8)10(3)17-15(18-12)20-14-16-9(2)7-13(21)19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyQMIANWDWSUAWRY-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.38
Rot. Bonds2

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

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491610) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
PubChem CID135491610
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
SMILESCc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1
InChIInChI=1S/C15H15N5O/c1-8-4-5-12-11(6-8)10(3)17-15(18-12)20-14-16-9(2)7-13(21)19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21)
InChIKeyQMIANWDWSUAWRY-UHFFFAOYSA-N
XLogP2.38
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(4-methylphenyl)-1H-pyrimidin-6-one
CID 135644170
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 135786425
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-5-pentyl-1H-pyrimidin-6-one
CID 135422835
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-(4-fluorophenyl)-1H-pyrimidin-6-one
CID 135645108
4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135894885
2-[(6-ethoxy-4-methylquinazolin-2-yl)amino]-4-hydroxy-1H-pyrimidin-6-one
CID 780214
ethyl 3-[2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoate
CID 135659120
4-methyl-2-(pyrimidin-2-ylamino)-1H-pyrimidin-6-one
CID 137003975
6-methoxy-2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135448199
4-(4-fluorophenyl)-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762516
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996082

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one (CID 135491610) is 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one is Cc1ccc2nc(Nc3nc(C)cc(=O)[nH]3)nc(C)c2c1.
What is the InChIKey of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QMIANWDWSUAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-8-4-5-12-11(6-8)10(3)17-15(18-12)20-14-16-9(2)7-13(21)19-14/h4-7H,1-3H3,(H2,16,17,18,19,20,21).
What are the key properties of 2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one?
2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 281.32 g/mol, XLogP of 2.38, 2 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-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).