2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one

C16H14F2N2O — CID 136542667

IUPAC2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C=Cc2ccc(C(F)F)cc2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H14F2N2O/c17-15(18)11-4-1-10(2-5-11)3-8-13-9-14(21)20-16(19-13)12-6-7-12/h1-5,8-9,12,15H,6-7H2,(H,19,20,21)
InChIKeyAOOSLLHCVWGPIT-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.76
Rot. Bonds4

About 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one

2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one (PubChem CID 136542667) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one
PubChem CID136542667
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one
SMILESO=c1cc(C=Cc2ccc(C(F)F)cc2)nc(C2CC2)[nH]1
InChIInChI=1S/C16H14F2N2O/c17-15(18)11-4-1-10(2-5-11)3-8-13-9-14(21)20-16(19-13)12-6-7-12/h1-5,8-9,12,15H,6-7H2,(H,19,20,21)
InChIKeyAOOSLLHCVWGPIT-UHFFFAOYSA-N
XLogP3.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
2-Ethyl-6-phenyl-4(3H)-pyrimidinone
CID 135473407
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
2-Phenethyl-6-trifluoromethyl-pyrimidin-4-ol
CID 136048722
4-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-1H-pyrimidin-6-one
CID 136852889
5-fluoro-2-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136702804
2-methyl-4-phenyl-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 137079313
2-phenyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrimidin-6-one
CID 136852890
4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-phenyl-1H-pyrimidin-6-one
CID 136852891
2-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrimidin-6-one
CID 90846673

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one (CID 136542667) is 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one is O=c1cc(C=Cc2ccc(C(F)F)cc2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one?
The InChIKey is AOOSLLHCVWGPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-15(18)11-4-1-10(2-5-11)3-8-13-9-14(21)20-16(19-13)12-6-7-12/h1-5,8-9,12,15H,6-7H2,(H,19,20,21).
What are the key properties of 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one has a molecular weight of 288.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[2-[4-(difluoromethyl)phenyl]ethenyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136542667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).