4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

C10H15F3N6 — CID 80777292

IUPAC4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C10H15F3N6/c1-14-7-16-8(15-6-10(11,12)13)18-9(17-7)19-4-2-3-5-19/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyFAMFGLBFFFAGNP-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.49
Rot. Bonds4

About 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine

4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80777292) has the molecular formula C10H15F3N6 and a molecular weight of 276.27 g/mol. Its IUPAC name is 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80777292
Molecular FormulaC10H15F3N6
Molecular Weight276.27 g/mol
Exact Mass276.13
IUPAC Name4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C10H15F3N6/c1-14-7-16-8(15-6-10(11,12)13)18-9(17-7)19-4-2-3-5-19/h2-6H2,1H3,(H2,14,15,16,17,18)
InChIKeyFAMFGLBFFFAGNP-UHFFFAOYSA-N
XLogP1.49
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))propylamine
CID 3158873
N-tert-Butyl-N'-ethyl-6-pyrrolidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 1096075
s-Triazine, 2,4-diamino-6-(1-pyrrolidinyl)-
CID 200843
(4,6-Dipyrrolidinyl(1,3,5-triazin-2-yl))ethylamine
CID 1096073
s-Triazine, 2,4-bis(methylamino)-6-(1-pyrrolidinyl)-
CID 204411
Cambridge id 6517795
CID 718717
2-N,2-N,4-N,4-N-tetramethyl-6-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 10038427
N-butyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 20337610
2-N,4-N-dimethyl-2-N,4-N,6-N-tris(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4,6-triamine
CID 53729218
2,4-Difluoro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 53900793
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-difluorocyclobutyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]-1,3,5-triazine-2,4-diamine
CID 156220345

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80777292) is 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FAMFGLBFFFAGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N6/c1-14-7-16-8(15-6-10(11,12)13)18-9(17-7)19-4-2-3-5-19/h2-6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 276.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80777292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).