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

C15H24F3N7 — CID 156717749

IUPAC6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CCCC3)n2)C1
InChIInChI=1S/C15H24F3N7/c1-20-10-4-7-25(8-10)13-23-11(19)22-12(24-13)21-9-14(15(16,17)18)5-2-3-6-14/h10,20H,2-9H2,1H3,(H3,19,21,22,23,24)/t10-/m1/s1
InChIKeyFWMLZMRAXMQBHY-SNVBAGLBSA-N
MW359.40 g/mol
LogP1.79
Rot. Bonds5

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

6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 156717749) has the molecular formula C15H24F3N7 and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID156717749
Molecular FormulaC15H24F3N7
Molecular Weight359.40 g/mol
Exact Mass359.20
IUPAC Name6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CCCC3)n2)C1
InChIInChI=1S/C15H24F3N7/c1-20-10-4-7-25(8-10)13-23-11(19)22-12(24-13)21-9-14(15(16,17)18)5-2-3-6-14/h10,20H,2-9H2,1H3,(H3,19,21,22,23,24)/t10-/m1/s1
InChIKeyFWMLZMRAXMQBHY-SNVBAGLBSA-N
XLogP1.79
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.79
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
2-N-[(3,3-difluoro-1-methylcyclobutyl)methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717723
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
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[1-(trifluoromethyl)cyclopentyl]-1,3,5-triazine-2,4-diamine
CID 156717759
2-N-[[1-(difluoromethyl)cyclopropyl]methyl]-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156717768
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopropyl]methyl]-1,3,5-triazine-2,4-diamine
CID 156717769
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[(1-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 156220338
2-N-(cyclopentylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220354
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[(1-methylcyclopentyl)methyl]-1,3,5-triazine-2,4-diamine
CID 156220377

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine (CID 156717749) is 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]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)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine is CN[C@@H]1CCN(c2nc(N)nc(NCC3(C(F)(F)F)CCCC3)n2)C1.
What is the InChIKey of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is FWMLZMRAXMQBHY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24F3N7/c1-20-10-4-7-25(8-10)13-23-11(19)22-12(24-13)21-9-14(15(16,17)18)5-2-3-6-14/h10,20H,2-9H2,1H3,(H3,19,21,22,23,24)/t10-/m1/s1.
What are the key properties of 6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine?
6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-N-[[1-(trifluoromethyl)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 359.40 g/mol, XLogP of 1.79, 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)cyclopentyl]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 156717749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).