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

C10H11F3N2O — CID 136509765

IUPAC2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C2CCCC2)[nH]1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-5-8(16)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15,16)
InChIKeyBDBVDEHURNSQQQ-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.45
Rot. Bonds1

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

2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 136509765) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID136509765
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(C(F)(F)F)nc(C2CCCC2)[nH]1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)7-5-8(16)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15,16)
InChIKeyBDBVDEHURNSQQQ-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 136509765) is 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is O=c1cc(C(F)(F)F)nc(C2CCCC2)[nH]1.
What is the InChIKey of 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is BDBVDEHURNSQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)7-5-8(16)15-9(14-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,14,15,16).
What are the key properties of 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 232.20 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136509765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).