1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one

C15H15FN2O — CID 117063432

IUPAC1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cncnc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-15(2,3)14(19)12-8-17-9-18-13(12)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyKJGQPUJZMJPKAD-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.51
Rot. Bonds2

About 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one

1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one (PubChem CID 117063432) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
PubChem CID117063432
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cncnc1-c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O/c1-15(2,3)14(19)12-8-17-9-18-13(12)10-4-6-11(16)7-5-10/h4-9H,1-3H3
InChIKeyKJGQPUJZMJPKAD-UHFFFAOYSA-N
XLogP3.51
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 58828782
N-(4-fluorophenyl)-4-phenylpyrimidine-5-carboxamide
CID 110858718
4-phenylpyrimidine-5-carboxamide
CID 160993699
4-[4-(2-methylpropoxy)phenyl]pyrimidine-5-carboxylic acid
CID 82488490
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-phenylpyrimidine-5-carboxamide
CID 142667584
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(5-methylpyrimidin-4-yl)phenyl]acetamide
CID 118560359
1-[4-(4-fluorophenyl)-3-pyridinyl]ethanone
CID 59872501
1-(4-tert-butyl-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 20585689
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
2-(4-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 172909577

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one (CID 117063432) is 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cncnc1-c1ccc(F)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KJGQPUJZMJPKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-15(2,3)14(19)12-8-17-9-18-13(12)10-4-6-11(16)7-5-10/h4-9H,1-3H3.
What are the key properties of 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one?
1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one has a molecular weight of 258.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)pyrimidin-5-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 117063432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).