2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C9H13F3N6 — CID 112746491

IUPAC2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H13F3N6/c1-18-3-2-5(4-18)14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,2-4H2,1H3,(H3,13,14,15,16,17)
InChIKeyNQVNBAGEPFPJMW-UHFFFAOYSA-N
MW262.24 g/mol
LogP0.59
Rot. Bonds2

About 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746491) has the molecular formula C9H13F3N6 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746491
Molecular FormulaC9H13F3N6
Molecular Weight262.24 g/mol
Exact Mass262.12
IUPAC Name2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCN1CCC(Nc2nc(N)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C9H13F3N6/c1-18-3-2-5(4-18)14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,2-4H2,1H3,(H3,13,14,15,16,17)
InChIKeyNQVNBAGEPFPJMW-UHFFFAOYSA-N
XLogP0.59
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,2-N-diethyl-4-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80802963
2-N-(1-methylpyrrolidin-3-yl)-1,3,5-triazine-2,4-diamine
CID 130532595
2-N-(1-methylpyrrolidin-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80803159
3-N-(1-methylpyrrolidin-3-yl)-1H-1,2,4-triazole-3,5-diamine
CID 66277099
6-tert-butyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-2,4-diamine
CID 66740280
2-N-(cyclopentylmethyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746494
N-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 61464985
2-tert-butyl-5-methyl-4-N-(1-methylpyrrolidin-3-yl)pyrimidine-4,6-diamine
CID 80987816
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
4-N-methyl-2-N-(1-methylpiperidin-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80776311
6-chloro-5-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-triazin-3-amine
CID 176918022
6-N-(1-methylpyrrolidin-3-yl)pyridine-2,3,6-triamine
CID 79826028

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746491) is 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CN1CCC(Nc2nc(N)nc(C(F)(F)F)n2)C1.
What is the InChIKey of 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NQVNBAGEPFPJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N6/c1-18-3-2-5(4-18)14-8-16-6(9(10,11)12)15-7(13)17-8/h5H,2-4H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 262.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methylpyrrolidin-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).