6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine

C13H20F3N7 — CID 156717769

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CC3)n2)C1
InChIInChI=1S/C13H20F3N7/c1-18-8-2-5-23(6-8)11-21-9(17)20-10(22-11)19-7-12(3-4-12)13(14,15)16/h8,18H,2-7H2,1H3,(H3,17,19,20,21,22)/t8-/m1/s1
InChIKeyVMIWHFRPKYHJCO-MRVPVSSYSA-N
MW331.35 g/mol
LogP1.01
Rot. Bonds5

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

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717769) has the molecular formula C13H20F3N7 and a molecular weight of 331.35 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID156717769
Molecular FormulaC13H20F3N7
Molecular Weight331.35 g/mol
Exact Mass331.17
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CC3)n2)C1
InChIInChI=1S/C13H20F3N7/c1-18-8-2-5-23(6-8)11-21-9(17)20-10(22-11)19-7-12(3-4-12)13(14,15)16/h8,18H,2-7H2,1H3,(H3,17,19,20,21,22)/t8-/m1/s1
InChIKeyVMIWHFRPKYHJCO-MRVPVSSYSA-N
XLogP1.01
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(3,3-difluorocyclopentyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220309
2-N-(2,2-difluoropropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220310
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazin-2-amine
CID 156220320
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3,5-triazin-2-amine
CID 156220334
2-N-(3,3-difluorocyclobutyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220345
N-(2,2-difluoropropyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 156220384
6-(1,4-diazepan-1-yl)-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717717
2-N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717723
2-N-(2-fluoro-2-methylpropyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717725
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
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 156717736
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717739

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine (CID 156717769) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CC3)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is VMIWHFRPKYHJCO-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H20F3N7/c1-18-8-2-5-23(6-8)11-21-9(17)20-10(22-11)19-7-12(3-4-12)13(14,15)16/h8,18H,2-7H2,1H3,(H3,17,19,20,21,22)/t8-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 331.35 g/mol, XLogP of 1.01, 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-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).