2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

C13H21F3N6 — CID 34693034

IUPAC2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H21F3N6/c1-8(10-18-11(17)20-12(19-10)21(2)3)22-6-4-5-9(7-22)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)/t8-,9-/m1/s1
InChIKeyFRUALRSAJPAVRL-RKDXNWHRSA-N
MW318.35 g/mol
LogP1.86
Rot. Bonds3

About 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 34693034) has the molecular formula C13H21F3N6 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID34693034
Molecular FormulaC13H21F3N6
Molecular Weight318.35 g/mol
Exact Mass318.18
IUPAC Name2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H21F3N6/c1-8(10-18-11(17)20-12(19-10)21(2)3)22-6-4-5-9(7-22)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)/t8-,9-/m1/s1
InChIKeyFRUALRSAJPAVRL-RKDXNWHRSA-N
XLogP1.86
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine 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 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine (CID 34693034) is 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FRUALRSAJPAVRL-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H21F3N6/c1-8(10-18-11(17)20-12(19-10)21(2)3)22-6-4-5-9(7-22)13(14,15)16/h8-9H,4-7H2,1-3H3,(H2,17,18,19,20)/t8-,9-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 318.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1R)-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34693034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).