2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one

C11H9ClN2O — CID 135459653

IUPAC2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O/c1-7-5-10(15)14-11(13-7)8-3-2-4-9(12)6-8/h2-6H,1H3,(H,13,14,15)
InChIKeyMSWLJZURSBZZKE-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.40
Rot. Bonds1

About 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one

2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135459653) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135459653
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN2O/c1-7-5-10(15)14-11(13-7)8-3-2-4-9(12)6-8/h2-6H,1H3,(H,13,14,15)
InChIKeyMSWLJZURSBZZKE-UHFFFAOYSA-N
XLogP2.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-(3-Chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 764165
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
3-(4-chlorophenyl)-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 753150
1-[(Z)-C-(3,4-dichlorophenyl)-N-hydroxycarbonimidoyl]-6-methylpyrimidine-2,4-dione
CID 145987924
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-(Chloromethyl)-2-(2,6-dichlorobenzyl)pyrimidin-4-ol
CID 135445552
6-Methyl-5-(2-methylprop-2-en-1-yl)-2-phenylpyrimidin-4-ol
CID 135449249
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one (CID 135459653) is 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MSWLJZURSBZZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c1-7-5-10(15)14-11(13-7)8-3-2-4-9(12)6-8/h2-6H,1H3,(H,13,14,15).
What are the key properties of 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one?
2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 220.66 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135459653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).