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

C12H19F3N6 — CID 80772310

IUPAC4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C12H19F3N6/c1-2-5-16-9-18-10(17-8-12(13,14)15)20-11(19-9)21-6-3-4-7-21/h2-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyNROXLTIUYVGVDP-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.27
Rot. Bonds6

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

4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80772310) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80772310
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1
InChIInChI=1S/C12H19F3N6/c1-2-5-16-9-18-10(17-8-12(13,14)15)20-11(19-9)21-6-3-4-7-21/h2-8H2,1H3,(H2,16,17,18,19,20)
InChIKeyNROXLTIUYVGVDP-UHFFFAOYSA-N
XLogP2.27
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-propyl-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
(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-triethyl-6-fluoro-1,3,5-triazine-2,4-diamine
CID 19634
N-butyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 20337610
4,6-difluoro-N-pentyl-1,3,5-triazin-2-amine
CID 70599241
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-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

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine (CID 80772310) is 4-N-propyl-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-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(NCC(F)(F)F)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NROXLTIUYVGVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-2-5-16-9-18-10(17-8-12(13,14)15)20-11(19-9)21-6-3-4-7-21/h2-8H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine?
4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 304.32 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-6-pyrrolidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).