4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C11H15ClF3N5 — CID 62864834

IUPAC4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H15ClF3N5/c1-2-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-5-3-4-6-20/h2-7H2,1H3
InChIKeyDIITWXXQKUGBEM-UHFFFAOYSA-N
MW309.72 g/mol
LogP2.51
Rot. Bonds4

About 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864834) has the molecular formula C11H15ClF3N5 and a molecular weight of 309.72 g/mol. Its IUPAC name is 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864834
Molecular FormulaC11H15ClF3N5
Molecular Weight309.72 g/mol
Exact Mass309.10
IUPAC Name4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C11H15ClF3N5/c1-2-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-5-3-4-6-20/h2-7H2,1H3
InChIKeyDIITWXXQKUGBEM-UHFFFAOYSA-N
XLogP2.51
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

s-Triazine, 2,4-bis(dimethylamino)-6-(1-pyrrolidinyl)-
CID 202886
N,N-Dibutyl-4,6-difluoro-1,3,5-triazin-2-amine
CID 13628700
6-chloro-2-N,2-N-diethyl-4-N-methyl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 20453895
4,6-Difluoro-N,N-dipropyl-1,3,5-triazin-2-amine
CID 53692437
2,4-Difluoro-6-pyrrolidin-1-yl-1,3,5-triazine
CID 53900793
2,4-Dichloro-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine
CID 118937033
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
2-(3,3-Difluoropyrrolidin-1-yl)-4,6-dimethyl-1,3,5-triazine
CID 149525082
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 177318021
2-Chloro-4-(4,4-difluoropiperidin-1-yl)-6-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazine
CID 178617378
2-Chloro-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine
CID 713803
4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55124532

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864834) is 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is DIITWXXQKUGBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N5/c1-2-19(7-11(13,14)15)9-16-8(12)17-10(18-9)20-5-3-4-6-20/h2-7H2,1H3.
What are the key properties of 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 309.72 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).