4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one

C13H13FN2O — CID 136883194

IUPAC4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-8(2)13-15-11(7-12(17)16-13)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,16,17)
InChIKeyMWEIALWKNVPEIM-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.70
Rot. Bonds2

About 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136883194) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136883194
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(-c2ccccc2F)cc(=O)[nH]1
InChIInChI=1S/C13H13FN2O/c1-8(2)13-15-11(7-12(17)16-13)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,16,17)
InChIKeyMWEIALWKNVPEIM-UHFFFAOYSA-N
XLogP2.70
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-fluoro-2-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769751
4-(2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136691878
4-(2-fluorophenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137000862
2-ethyl-4-(2-fluorophenyl)-1H-pyrimidin-6-one
CID 136692389
4-(2-chloro-4-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955703
4-(2,6-difluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769942
4-(2-fluorophenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692393
4-(4-fluoro-3-methylphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136955436
4-(5-fluoro-2-methoxyphenyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136769281
4-[2-(2-methoxyethoxy)phenyl]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136770106
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
4-(2,3-difluorophenyl)-2-methyl-1H-pyrimidin-6-one
CID 136769233

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136883194) is 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(-c2ccccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is MWEIALWKNVPEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-8(2)13-15-11(7-12(17)16-13)9-5-3-4-6-10(9)14/h3-8H,1-2H3,(H,15,16,17).
What are the key properties of 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 232.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136883194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).