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

C13H16F3N3 — CID 102718663

IUPAC6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-5-11(17)18-12(6-9)19(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2,(H2,17,18)
InChIKeyPKULCWUAROSRMD-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.06
Rot. Bonds4

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

6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (PubChem CID 102718663) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
PubChem CID102718663
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC Name6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
SMILESNc1cc(C(F)(F)F)cc(N(CC2CC2)C2CC2)n1
InChIInChI=1S/C13H16F3N3/c14-13(15,16)9-5-11(17)18-12(6-9)19(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2,(H2,17,18)
InChIKeyPKULCWUAROSRMD-UHFFFAOYSA-N
XLogP3.06
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-cyclopropylpyridin-2-amine
CID 62104174
6-Cyclopropyl-4-(trifluoromethyl)pyridin-2-amine
CID 100613697
N-[1-(cyclopropylmethyl)piperidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 136512857
6-chloro-N-cyclopropyl-5-(trifluoromethyl)pyridin-2-amine
CID 15698220
1-(6-Methyl-4-trifluoromethylpyridin-2-yl)azetidin-3-ylamine
CID 10443877
1-[4-(Trifluoromethyl)pyridin-2-yl]azetidin-3-amine
CID 10465922
4-Piperidinemethanamine, 1-[4-(trifluoromethyl)-2-pyridinyl]-
CID 18678709
1-[2-(Dimethylamino)ethyl]-3,3-dimethyl-1-[6-(methylamino)-4-(trifluoromethyl)pyridin-2-yl]urea
CID 20339499
N-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 20339534
N',N'-dimethyl-N-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
CID 20339562
N',N'-di(propan-2-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]ethane-1,2-diamine
CID 20339580
1-[2-[Di(propan-2-yl)amino]ethyl]-3,3-dimethyl-1-[6-(methylamino)-4-(trifluoromethyl)pyridin-2-yl]urea
CID 20339603

Frequently Asked Questions

What is the IUPAC name of 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine (CID 102718663) is 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is Nc1cc(C(F)(F)F)cc(N(CC2CC2)C2CC2)n1.
What is the InChIKey of 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
The InChIKey is PKULCWUAROSRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c14-13(15,16)9-5-11(17)18-12(6-9)19(10-3-4-10)7-8-1-2-8/h5-6,8,10H,1-4,7H2,(H2,17,18).
What are the key properties of 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine?
6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine has a molecular weight of 271.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine is sourced from PubChem (CID 102718663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).