2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

C10H11F3N2O — CID 169072226

IUPAC2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-6-4-14-8(7-2-3-7)15-9(6)16-5-10(11,12)13/h4,7H,2-3,5H2,1H3
InChIKeyOQUQGOFQLVKCDG-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.60
Rot. Bonds3

About 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine

2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 169072226) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID169072226
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCc1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C10H11F3N2O/c1-6-4-14-8(7-2-3-7)15-9(6)16-5-10(11,12)13/h4,7H,2-3,5H2,1H3
InChIKeyOQUQGOFQLVKCDG-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 169072226) is 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is Cc1cnc(C2CC2)nc1OCC(F)(F)F.
What is the InChIKey of 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is OQUQGOFQLVKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-6-4-14-8(7-2-3-7)15-9(6)16-5-10(11,12)13/h4,7H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine?
2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 232.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-methyl-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 169072226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).