2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one

C9H9F3N2O2 — CID 103240545

IUPAC2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-3-6(15)13-8(14-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15)
InChIKeyCVOSCMXXUGRXJK-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.59
Rot. Bonds3

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

2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103240545) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103240545
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-3-6(15)13-8(14-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15)
InChIKeyCVOSCMXXUGRXJK-UHFFFAOYSA-N
XLogP1.59
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one (CID 103240545) is 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is CVOSCMXXUGRXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2/c10-9(11,12)4-16-7-3-6(15)13-8(14-7)5-1-2-5/h3,5H,1-2,4H2,(H,13,14,15).
What are the key properties of 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 234.18 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).