6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine

C13H22F3N7 — CID 156717735

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC(C)(C)C(F)(F)F)n2)C1
InChIInChI=1S/C13H22F3N7/c1-12(2,13(14,15)16)7-19-10-20-9(17)21-11(22-10)23-5-4-8(6-23)18-3/h8,18H,4-7H2,1-3H3,(H3,17,19,20,21,22)/t8-/m1/s1
InChIKeyQURCAUKSFFJYLS-MRVPVSSYSA-N
MW333.36 g/mol
LogP1.25
Rot. Bonds5

About 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 156717735) has the molecular formula C13H22F3N7 and a molecular weight of 333.36 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID156717735
Molecular FormulaC13H22F3N7
Molecular Weight333.36 g/mol
Exact Mass333.19
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC(C)(C)C(F)(F)F)n2)C1
InChIInChI=1S/C13H22F3N7/c1-12(2,13(14,15)16)7-19-10-20-9(17)21-11(22-10)23-5-4-8(6-23)18-3/h8,18H,4-7H2,1-3H3,(H3,17,19,20,21,22)/t8-/m1/s1
InChIKeyQURCAUKSFFJYLS-MRVPVSSYSA-N
XLogP1.25
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-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 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine (CID 156717735) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NCC(C)(C)C(F)(F)F)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QURCAUKSFFJYLS-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H22F3N7/c1-12(2,13(14,15)16)7-19-10-20-9(17)21-11(22-10)23-5-4-8(6-23)18-3/h8,18H,4-7H2,1-3H3,(H3,17,19,20,21,22)/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 333.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).