4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine

C10H12F3N3 — CID 167254970

IUPAC4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1nc(N)cc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3/c1-15-9-8(10(11,12)13)6(5-2-3-5)4-7(14)16-9/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyHCKMGFNFVPXZBP-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds2

About 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine

4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 167254970) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID167254970
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine
SMILESCNc1nc(N)cc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C10H12F3N3/c1-15-9-8(10(11,12)13)6(5-2-3-5)4-7(14)16-9/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyHCKMGFNFVPXZBP-UHFFFAOYSA-N
XLogP2.60
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine (CID 167254970) is 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine is CNc1nc(N)cc(C2CC2)c1C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is HCKMGFNFVPXZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-15-9-8(10(11,12)13)6(5-2-3-5)4-7(14)16-9/h4-5H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine?
4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 231.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-N-methyl-3-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 167254970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).