4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one

C13H14N2O — CID 12596962

IUPAC4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one
SMILESCc1cc(C)n(-c2ccccc2C)c(=O)n1
InChIInChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)15-11(3)8-10(2)14-13(15)16/h4-8H,1-3H3
InChIKeyMYFKKUSLCIQEOI-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.16
Rot. Bonds1

About 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one

4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one (PubChem CID 12596962) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one
PubChem CID12596962
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one
SMILESCc1cc(C)n(-c2ccccc2C)c(=O)n1
InChIInChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)15-11(3)8-10(2)14-13(15)16/h4-8H,1-3H3
InChIKeyMYFKKUSLCIQEOI-UHFFFAOYSA-N
XLogP2.16
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 2554
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CID 63430
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CID 69198
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CID 69232
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CID 88670
CID 88670
CID 200789
CID 200789
CID 4612351
CID 4612351
CID 67474845
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CID 5742278
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CID 518707
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CID 88626
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CID 3049256
CID 3049256

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one?
The IUPAC name of 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one (CID 12596962) is 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one?
The canonical SMILES for 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one is Cc1cc(C)n(-c2ccccc2C)c(=O)n1.
What is the InChIKey of 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one?
The InChIKey is MYFKKUSLCIQEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-4-5-7-12(9)15-11(3)8-10(2)14-13(15)16/h4-8H,1-3H3.
What are the key properties of 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one?
4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2-methylphenyl)pyrimidin-2-one is sourced from PubChem (CID 12596962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).