2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

C10H12F3N3O — CID 141420875

IUPAC2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)5-17-4-7-3-8(14)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5H2,(H2,14,15,16)
InChIKeyMDJVAEHHDLZFAS-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.02
Rot. Bonds4

About 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine

2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (PubChem CID 141420875) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
PubChem CID141420875
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
SMILESNc1cc(COCC(F)(F)F)nc(C2CC2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)5-17-4-7-3-8(14)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5H2,(H2,14,15,16)
InChIKeyMDJVAEHHDLZFAS-UHFFFAOYSA-N
XLogP2.02
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine (CID 141420875) is 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is Nc1cc(COCC(F)(F)F)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
The InChIKey is MDJVAEHHDLZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)5-17-4-7-3-8(14)16-9(15-7)6-1-2-6/h3,6H,1-2,4-5H2,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine?
2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine has a molecular weight of 247.22 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 141420875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).