6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

C10H10ClF3N2O2 — CID 114584793

IUPAC6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCOC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyCPCLOARQCPMLAS-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.31
Rot. Bonds4

About 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one

6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (PubChem CID 114584793) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
PubChem CID114584793
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one
SMILESO=c1cc(Cl)nc(C2CC2)n1CCOC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2
InChIKeyCPCLOARQCPMLAS-UHFFFAOYSA-N
XLogP2.31
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one (CID 114584793) is 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is O=c1cc(Cl)nc(C2CC2)n1CCOC(F)(F)F.
What is the InChIKey of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
The InChIKey is CPCLOARQCPMLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-7-5-8(17)16(3-4-18-10(12,13)14)9(15-7)6-1-2-6/h5-6H,1-4H2.
What are the key properties of 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one?
6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one has a molecular weight of 282.65 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-3-[2-(trifluoromethoxy)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114584793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).