2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one

C13H10F2N2O — CID 136692579

IUPAC2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)c(F)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H10F2N2O/c14-9-4-3-8(5-10(9)15)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyOJRCECUQYPLLBX-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.59
Rot. Bonds2

About 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one (PubChem CID 136692579) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
PubChem CID136692579
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccc(F)c(F)c2)nc(C2CC2)[nH]1
InChIInChI=1S/C13H10F2N2O/c14-9-4-3-8(5-10(9)15)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18)
InChIKeyOJRCECUQYPLLBX-UHFFFAOYSA-N
XLogP2.59
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-4-(2,3,4-trifluorophenyl)-1H-pyrimidin-6-one
CID 136692778
4-(3-chloro-4-methylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136955676
4-(3-chlorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136910495
4-(3-cyclobutylphenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770354
4-(2-chloro-5-fluorophenyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136770507
2-cyclopropyl-4-(5-fluoro-1-benzofuran-2-yl)-1H-pyrimidin-6-one
CID 136770178
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136681607
2-(3-chloro-4-fluorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975531
2-(4-chlorophenyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 135975507
2-cyclopropyl-4-(2,5-dimethoxyphenyl)-1H-pyrimidin-6-one
CID 136692542
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-(3,4-difluorophenyl)-2-oxo-1H-pyrimidine-6-carboxylic acid
CID 79021570

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one (CID 136692579) is 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccc(F)c(F)c2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one?
The InChIKey is OJRCECUQYPLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c14-9-4-3-8(5-10(9)15)11-6-12(18)17-13(16-11)7-1-2-7/h3-7H,1-2H2,(H,16,17,18).
What are the key properties of 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one has a molecular weight of 248.23 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(3,4-difluorophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136692579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).