6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

C10H12F3N3 — CID 63354385

IUPAC6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3/c1-14-8-4-7(6-2-3-6)15-9(16-8)5-10(11,12)13/h4,6H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyKMWCGQACZHFZOH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.50
Rot. Bonds3

About 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine

6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (PubChem CID 63354385) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
PubChem CID63354385
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(CC(F)(F)F)n1
InChIInChI=1S/C10H12F3N3/c1-14-8-4-7(6-2-3-6)15-9(16-8)5-10(11,12)13/h4,6H,2-3,5H2,1H3,(H,14,15,16)
InChIKeyKMWCGQACZHFZOH-UHFFFAOYSA-N
XLogP2.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine (CID 63354385) is 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is CNc1cc(C2CC2)nc(CC(F)(F)F)n1.
What is the InChIKey of 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
The InChIKey is KMWCGQACZHFZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-14-8-4-7(6-2-3-6)15-9(16-8)5-10(11,12)13/h4,6H,2-3,5H2,1H3,(H,14,15,16).
What are the key properties of 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine?
6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine has a molecular weight of 231.22 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-amine is sourced from PubChem (CID 63354385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).