2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone

C13H11FN2O — CID 114347220

IUPAC2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccncn1
InChIInChI=1S/C13H11FN2O/c1-9-6-11(14)3-2-10(9)7-13(17)12-4-5-15-8-16-12/h2-6,8H,7H2,1H3
InChIKeyHATGYBDIKITLGR-UHFFFAOYSA-N
MW230.24 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone

2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone (PubChem CID 114347220) has the molecular formula C13H11FN2O and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone.

Molecular Properties

Compound Name2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone
PubChem CID114347220
Molecular FormulaC13H11FN2O
Molecular Weight230.24 g/mol
Exact Mass230.09
IUPAC Name2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone
SMILESCc1cc(F)ccc1CC(=O)c1ccncn1
InChIInChI=1S/C13H11FN2O/c1-9-6-11(14)3-2-10(9)7-13(17)12-4-5-15-8-16-12/h2-6,8H,7H2,1H3
InChIKeyHATGYBDIKITLGR-UHFFFAOYSA-N
XLogP2.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347317
2-(2-chloro-4-methylphenyl)-1-pyrimidin-4-ylethanone
CID 106866928
2-(3,5-dimethylphenyl)-1-pyrimidin-4-ylethanone
CID 63989758
2-(4-fluoro-2-methylphenyl)-1-(3-methyl-2-pyridinyl)ethanone
CID 114347182
2-(3,4-difluorophenyl)-1-pyrimidin-4-ylethanone
CID 82920396
2-(4-fluoro-2-methylphenyl)acetic acid
CID 5016950
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
2-(5-fluoro-2-methylphenyl)-1-pyridin-4-ylethanone
CID 105373154
1-(3,5-dichloro-2-pyridinyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347309
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-(2-fluoro-4-methylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812673
1-(2-ethylphenyl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812520

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone?
The IUPAC name of 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone (CID 114347220) is 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone.
What is the SMILES notation for 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone?
The canonical SMILES for 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone is Cc1cc(F)ccc1CC(=O)c1ccncn1.
What is the InChIKey of 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone?
The InChIKey is HATGYBDIKITLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O/c1-9-6-11(14)3-2-10(9)7-13(17)12-4-5-15-8-16-12/h2-6,8H,7H2,1H3.
What are the key properties of 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone?
2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone has a molecular weight of 230.24 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylphenyl)-1-pyrimidin-4-ylethanone is sourced from PubChem (CID 114347220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).