4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

C11H13F3N2O — CID 136964446

IUPAC4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)6-9-15-8(5-10(17)16-9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,15,16,17)
InChIKeyFBKIWXGDKITRRQ-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.53
Rot. Bonds2

About 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (PubChem CID 136964446) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
PubChem CID136964446
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(CC(F)(F)F)[nH]1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)6-9-15-8(5-10(17)16-9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,15,16,17)
InChIKeyFBKIWXGDKITRRQ-UHFFFAOYSA-N
XLogP2.53
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-aminocyclopentyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136103261
2-(1-aminocyclopentyl)-4-cyclopropyl-1H-pyrimidin-6-one
CID 136127652
2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-ol
CID 136509765
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
2-(1-aminocyclopentyl)-4-(difluoromethyl)-1H-pyrimidin-6-one
CID 136103252
4-propyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288746
4-propan-2-yl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288752
4-cyclopropyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136288772
4-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidin-6-one
CID 136298745
4-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 136298871

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one (CID 136964446) is 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(CC(F)(F)F)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is FBKIWXGDKITRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)6-9-15-8(5-10(17)16-9)7-3-1-2-4-7/h5,7H,1-4,6H2,(H,15,16,17).
What are the key properties of 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 246.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).