2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

C10H11F3N2O — CID 126857772

IUPAC2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C10H11F3N2O/c1-6-4-8(16)15(5-10(11,12)13)9(14-6)7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyOVUSWBIEVCOJTK-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.99
Rot. Bonds2

About 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one

2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (PubChem CID 126857772) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
PubChem CID126857772
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one
SMILESCc1cc(=O)n(CC(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C10H11F3N2O/c1-6-4-8(16)15(5-10(11,12)13)9(14-6)7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyOVUSWBIEVCOJTK-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one (CID 126857772) is 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is Cc1cc(=O)n(CC(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
The InChIKey is OVUSWBIEVCOJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-4-8(16)15(5-10(11,12)13)9(14-6)7-2-3-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one?
2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one has a molecular weight of 232.20 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-methyl-3-(2,2,2-trifluoroethyl)pyrimidin-4-one is sourced from PubChem (CID 126857772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).