2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine

C12H15F3N2O — CID 130210343

IUPAC2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7(2)9-5-16-10(8-3-4-8)17-11(9)18-6-12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWVXTZJLHWQTJQV-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.42
Rot. Bonds4

About 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine

2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine (PubChem CID 130210343) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine
PubChem CID130210343
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine
SMILESCC(C)c1cnc(C2CC2)nc1OCC(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-7(2)9-5-16-10(8-3-4-8)17-11(9)18-6-12(13,14)15/h5,7-8H,3-4,6H2,1-2H3
InChIKeyWVXTZJLHWQTJQV-UHFFFAOYSA-N
XLogP3.42
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The IUPAC name of 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine (CID 130210343) is 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The canonical SMILES for 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine is CC(C)c1cnc(C2CC2)nc1OCC(F)(F)F.
What is the InChIKey of 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine?
The InChIKey is WVXTZJLHWQTJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-7(2)9-5-16-10(8-3-4-8)17-11(9)18-6-12(13,14)15/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine?
2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine has a molecular weight of 260.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-propan-2-yl-4-(2,2,2-trifluoroethoxy)pyrimidine is sourced from PubChem (CID 130210343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).