3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one

C10H11F3N2O — CID 126857679

IUPAC3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCC1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-4-9(16)15(6-14-8)5-7-2-1-3-7/h4,6-7H,1-3,5H2
InChIKeyDTGKERRXYHZTBR-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.06
Rot. Bonds2

About 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one

3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 126857679) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID126857679
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one
SMILESO=c1cc(C(F)(F)F)ncn1CC1CCC1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-4-9(16)15(6-14-8)5-7-2-1-3-7/h4,6-7H,1-3,5H2
InChIKeyDTGKERRXYHZTBR-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one (CID 126857679) is 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one is O=c1cc(C(F)(F)F)ncn1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is DTGKERRXYHZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)8-4-9(16)15(6-14-8)5-7-2-1-3-7/h4,6-7H,1-3,5H2.
What are the key properties of 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one?
3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 232.20 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 126857679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).