3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one

C19H21N5O — CID 23909955

IUPAC3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one
SMILESCc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H21N5O/c1-11-6-7-16(8-12(11)2)24-17(25)10-15(5)22-19(24)23-18-20-13(3)9-14(4)21-18/h6-10H,1-5H3,(H,20,21,22,23)
InChIKeyHNPOPNHFYPJRDS-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.31
Rot. Bonds3

About 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one

3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one (PubChem CID 23909955) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one
PubChem CID23909955
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one
SMILESCc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccc(C)c(C)c2)n1
InChIInChI=1S/C19H21N5O/c1-11-6-7-16(8-12(11)2)24-17(25)10-15(5)22-19(24)23-18-20-13(3)9-14(4)21-18/h6-10H,1-5H3,(H,20,21,22,23)
InChIKeyHNPOPNHFYPJRDS-UHFFFAOYSA-N
XLogP3.31
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one (CID 23909955) is 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one is Cc1cc(C)nc(Nc2nc(C)cc(=O)n2-c2ccc(C)c(C)c2)n1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one?
The InChIKey is HNPOPNHFYPJRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-11-6-7-16(8-12(11)2)24-17(25)10-15(5)22-19(24)23-18-20-13(3)9-14(4)21-18/h6-10H,1-5H3,(H,20,21,22,23).
What are the key properties of 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one?
3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one has a molecular weight of 335.41 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methylpyrimidin-4-one is sourced from PubChem (CID 23909955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).