2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one

C17H17N5O — CID 23762620

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(2)19-16(18-11)21-17-20-13(3)10-15(23)22(17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyLAFALROHEQRCLF-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.69
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one

2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one (PubChem CID 23762620) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one
PubChem CID23762620
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccccc2)n1
InChIInChI=1S/C17H17N5O/c1-11-9-12(2)19-16(18-11)21-17-20-13(3)10-15(23)22(17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19,20,21)
InChIKeyLAFALROHEQRCLF-UHFFFAOYSA-N
XLogP2.69
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one
CID 23909955
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2-benzyl-6-methyl-3-phenylpyrimidin-4-one
CID 13280786
N-(2,5-diphenyl-1,2,4-triazol-3-yl)-4,6-dimethylpyrimidin-2-amine
CID 13033530
sodium 2-anilino-6-oxo-1-phenylpyrimidin-4-olate
CID 161309550
N-(4,6-dimethylpyrimidin-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 155453170
N-(2,6-dibromo-4-methylphenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 3535817
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4656952
N-(2,3-dimethylphenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4068687
2-[2-[(4,6-dimethylpyrimidin-2-yl)amino]-5-methylimidazol-1-yl]phenol
CID 23766969
N-(2-cyanophenyl)-2-(4-methyl-6-oxo-1-phenylpyrimidin-2-yl)sulfanylacetamide
CID 4139269
6-methyl-2-(methylamino)-1-phenylpyrimidin-4-one
CID 19754156

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one (CID 23762620) is 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one is Cc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccccc2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one?
The InChIKey is LAFALROHEQRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-9-12(2)19-16(18-11)21-17-20-13(3)10-15(23)22(17)14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,19,20,21).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one?
2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one has a molecular weight of 307.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 23762620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).