2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one

C11H8Cl2N2O — CID 154123785

IUPAC2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1nc(Cl)n(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-7-9(12)10(16)15(11(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyUKBIQRFKUJMFLS-UHFFFAOYSA-N
MW255.10 g/mol
LogP2.85
Rot. Bonds1

About 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one

2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one (PubChem CID 154123785) has the molecular formula C11H8Cl2N2O and a molecular weight of 255.10 g/mol. Its IUPAC name is 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one.

Molecular Properties

Compound Name2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
PubChem CID154123785
Molecular FormulaC11H8Cl2N2O
Molecular Weight255.10 g/mol
Exact Mass254.00
IUPAC Name2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one
SMILESCc1nc(Cl)n(-c2ccccc2)c(=O)c1Cl
InChIInChI=1S/C11H8Cl2N2O/c1-7-9(12)10(16)15(11(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyUKBIQRFKUJMFLS-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 134105611
5-chloro-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 14292613
3,5-dichloro-6-(2-methylphenyl)-1-phenylpyrazin-2-one
CID 45268991
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466
1-benzyl-6-chloro-5-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 11244612
2-chloro-1-phenylbenzimidazole
CID 12675133
3-benzyl-5-chloro-6-methyl-1-phenylpyrazin-2-one
CID 10638735
5-chloro-6-methyl-1-phenyl-3-[(E)-2-phenylethenyl]pyrazin-2-one
CID 102210604
(2,5-dichloro-3-phenylimidazol-4-yl)methyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
CID 155948350
5-chloro-6-cyclopropyl-2-methyl-3-phenylquinazolin-4-one
CID 175045134
2,6-dimethyl-3-phenylpyrimidin-4-one
CID 608225
2-ethyl-3-phenylquinazolin-4-one
CID 719985

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one?
The IUPAC name of 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one (CID 154123785) is 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one.
What is the SMILES notation for 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one?
The canonical SMILES for 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one is Cc1nc(Cl)n(-c2ccccc2)c(=O)c1Cl.
What is the InChIKey of 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one?
The InChIKey is UKBIQRFKUJMFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O/c1-7-9(12)10(16)15(11(13)14-7)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one?
2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one has a molecular weight of 255.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-6-methyl-3-phenylpyrimidin-4-one is sourced from PubChem (CID 154123785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).