2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

C18H19N5O — CID 135645257

IUPAC2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O
InChIInChI=1S/C18H19N5O/c1-5-7-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-9-6-8-10(2)15(13)21-17/h5-6,8-9H,1,7H2,2-4H3,(H2,19,20,21,22,23,24)
InChIKeyVBZQCNZCJKNEFN-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.11
Rot. Bonds4

About 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one

2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (PubChem CID 135645257) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
PubChem CID135645257
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
SMILESC=CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O
InChIInChI=1S/C18H19N5O/c1-5-7-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-9-6-8-10(2)15(13)21-17/h5-6,8-9H,1,7H2,2-4H3,(H2,19,20,21,22,23,24)
InChIKeyVBZQCNZCJKNEFN-UHFFFAOYSA-N
XLogP3.11
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-5-prop-2-enyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135602400
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-(3-methylbutyl)-1H-pyrimidin-6-one
CID 135467306
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135645254
5-ethyl-4-methyl-2-[(4,6,8-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135762344
5-benzyl-2-[(8-ethoxy-4-methylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602403
4-(2-chlorophenyl)-2-[(4,8-dimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135645110
2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-8-methyl-3H-quinazolin-4-one
CID 135440093
5-butyl-2-[(4,6-dimethylquinazolin-2-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135602395
2-[(6-ethyl-4-methylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882008
5-[(2-chlorophenyl)methyl]-4-methyl-2-[(4,6,7-trimethylquinazolin-2-yl)amino]-1H-pyrimidin-6-one
CID 135727198
2-[(4,7-dimethylquinazolin-2-yl)amino]-4-methyl-5-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135882011
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrimidin-6-one
CID 135996039

Frequently Asked Questions

What is the IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one (CID 135645257) is 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is C=CCc1c(C)nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c1=O.
What is the InChIKey of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
The InChIKey is VBZQCNZCJKNEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-5-7-14-12(4)20-18(22-16(14)24)23-17-19-11(3)13-9-6-8-10(2)15(13)21-17/h5-6,8-9H,1,7H2,2-4H3,(H2,19,20,21,22,23,24).
What are the key properties of 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one?
2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one has a molecular weight of 321.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,8-dimethylquinazolin-2-yl)amino]-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135645257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).