6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

C14H13F3N4O — CID 140649990

IUPAC6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CC2c2ccccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)13-20-11(18)6-12(21-13)22-7-8-5-9(8)10-3-1-2-4-19-10/h1-4,6,8-9H,5,7H2,(H2,18,20,21)
InChIKeyGOPORVBUKPSPMM-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.66
Rot. Bonds4

About 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine

6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 140649990) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID140649990
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC Name6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESNc1cc(OCC2CC2c2ccccn2)nc(C(F)(F)F)n1
InChIInChI=1S/C14H13F3N4O/c15-14(16,17)13-20-11(18)6-12(21-13)22-7-8-5-9(8)10-3-1-2-4-19-10/h1-4,6,8-9H,5,7H2,(H2,18,20,21)
InChIKeyGOPORVBUKPSPMM-UHFFFAOYSA-N
XLogP2.66
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine (CID 140649990) is 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is Nc1cc(OCC2CC2c2ccccn2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GOPORVBUKPSPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c15-14(16,17)13-20-11(18)6-12(21-13)22-7-8-5-9(8)10-3-1-2-4-19-10/h1-4,6,8-9H,5,7H2,(H2,18,20,21).
What are the key properties of 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine?
6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 310.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyridin-2-ylcyclopropyl)methoxy]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 140649990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).