4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

C25H36F3N7 — CID 10278154

IUPAC4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NC2CCCCCC2)nc(N(C)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H36F3N7/c1-3-35-16-10-13-19(35)17-29-22-31-23(30-18-11-6-4-5-7-12-18)33-24(32-22)34(2)21-15-9-8-14-20(21)25(26,27)28/h8-9,14-15,18-19H,3-7,10-13,16-17H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyLBULNSRSFYUFGM-UHFFFAOYSA-N
MW491.61 g/mol
LogP5.69
Rot. Bonds8

About 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine

4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 10278154) has the molecular formula C25H36F3N7 and a molecular weight of 491.61 g/mol. Its IUPAC name is 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID10278154
Molecular FormulaC25H36F3N7
Molecular Weight491.61 g/mol
Exact Mass491.30
IUPAC Name4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCN1CCCC1CNc1nc(NC2CCCCCC2)nc(N(C)c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C25H36F3N7/c1-3-35-16-10-13-19(35)17-29-22-31-23(30-18-11-6-4-5-7-12-18)33-24(32-22)34(2)21-15-9-8-14-20(21)25(26,27)28/h8-9,14-15,18-19H,3-7,10-13,16-17H2,1-2H3,(H2,29,30,31,32,33)
InChIKeyLBULNSRSFYUFGM-UHFFFAOYSA-N
XLogP5.69
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.61
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine (CID 10278154) is 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is CCN1CCCC1CNc1nc(NC2CCCCCC2)nc(N(C)c2ccccc2C(F)(F)F)n1.
What is the InChIKey of 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is LBULNSRSFYUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36F3N7/c1-3-35-16-10-13-19(35)17-29-22-31-23(30-18-11-6-4-5-7-12-18)33-24(32-22)34(2)21-15-9-8-14-20(21)25(26,27)28/h8-9,14-15,18-19H,3-7,10-13,16-17H2,1-2H3,(H2,29,30,31,32,33).
What are the key properties of 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine?
4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 491.61 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-6-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-N-methyl-2-N-[2-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 10278154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).