(3-methylphenyl)-pyrimidin-4-ylmethanone

C12H10N2O — CID 63989761

IUPAC(3-methylphenyl)-pyrimidin-4-ylmethanone
SMILESCc1cccc(C(=O)c2ccncn2)c1
InChIInChI=1S/C12H10N2O/c1-9-3-2-4-10(7-9)12(15)11-5-6-13-8-14-11/h2-8H,1H3
InChIKeyORIPIENZKPGQPU-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds2

About (3-methylphenyl)-pyrimidin-4-ylmethanone

(3-methylphenyl)-pyrimidin-4-ylmethanone (PubChem CID 63989761) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is (3-methylphenyl)-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylphenyl)-pyrimidin-4-ylmethanone
PubChem CID63989761
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name(3-methylphenyl)-pyrimidin-4-ylmethanone
SMILESCc1cccc(C(=O)c2ccncn2)c1
InChIInChI=1S/C12H10N2O/c1-9-3-2-4-10(7-9)12(15)11-5-6-13-8-14-11/h2-8H,1H3
InChIKeyORIPIENZKPGQPU-UHFFFAOYSA-N
XLogP2.02
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-4-methylphenyl)-pyrimidin-4-ylmethanone
CID 107559832
(2-methylquinolin-6-yl)-pyrimidin-4-ylmethanone
CID 81219966
bis(3-methylphenyl)methanone
CID 17848
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(3-methylphenyl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 105079306
methyl 3-(pyrimidine-4-carbonylamino)benzoate
CID 110699213
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
anthracen-1-yl(pyrimidin-4-yl)methanone
CID 173459735
2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethanone
CID 63989758
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-pyrimidin-4-ylmethanone?
The IUPAC name of (3-methylphenyl)-pyrimidin-4-ylmethanone (CID 63989761) is (3-methylphenyl)-pyrimidin-4-ylmethanone.
What is the SMILES notation for (3-methylphenyl)-pyrimidin-4-ylmethanone?
The canonical SMILES for (3-methylphenyl)-pyrimidin-4-ylmethanone is Cc1cccc(C(=O)c2ccncn2)c1.
What is the InChIKey of (3-methylphenyl)-pyrimidin-4-ylmethanone?
The InChIKey is ORIPIENZKPGQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-9-3-2-4-10(7-9)12(15)11-5-6-13-8-14-11/h2-8H,1H3.
What are the key properties of (3-methylphenyl)-pyrimidin-4-ylmethanone?
(3-methylphenyl)-pyrimidin-4-ylmethanone has a molecular weight of 198.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-pyrimidin-4-ylmethanone is sourced from PubChem (CID 63989761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).