4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one

C8H7F3N2O — CID 136802829

IUPAC4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14)
InChIKeyXQLUJDZBZWDLBY-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.67
Rot. Bonds1

About 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136802829) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136802829
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC Name4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CC2)nc(C(F)(F)F)[nH]1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14)
InChIKeyXQLUJDZBZWDLBY-UHFFFAOYSA-N
XLogP1.67
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Cyclopropyl-6-(trifluoromethyl)pyrimidin-4-ol
CID 135438221
2-Cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-ol
CID 136368334
2-methyl-4-(3,3,4,4,4-pentafluorobutyl)-1H-pyrimidin-6-one
CID 138628387
2-(1,1-difluoroethyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 170351964
4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
CID 170352103
2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one
CID 170577109
4-cyclopropyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 135975532
4-propyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136055371
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136055374
4-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288746
4-ethyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288750
4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288752

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136802829) is 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C2CC2)nc(C(F)(F)F)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is XQLUJDZBZWDLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)7-12-5(4-1-2-4)3-6(14)13-7/h3-4H,1-2H2,(H,12,13,14).
What are the key properties of 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 204.15 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136802829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).