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

C10H13ClF3N5 — CID 62864230

IUPAC4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClF3N5/c1-18(6-10(12,13)14)8-15-7(11)16-9(17-8)19-4-2-3-5-19/h2-6H2,1H3
InChIKeyDIWUKCNEYZYWJQ-UHFFFAOYSA-N
MW295.70 g/mol
LogP2.12
Rot. Bonds3

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

4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 62864230) has the molecular formula C10H13ClF3N5 and a molecular weight of 295.70 g/mol. Its IUPAC name is 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID62864230
Molecular FormulaC10H13ClF3N5
Molecular Weight295.70 g/mol
Exact Mass295.08
IUPAC Name4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C10H13ClF3N5/c1-18(6-10(12,13)14)8-15-7(11)16-9(17-8)19-4-2-3-5-19/h2-6H2,1H3
InChIKeyDIWUKCNEYZYWJQ-UHFFFAOYSA-N
XLogP2.12
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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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-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 62864230) is 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is CN(CC(F)(F)F)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is DIWUKCNEYZYWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N5/c1-18(6-10(12,13)14)8-15-7(11)16-9(17-8)19-4-2-3-5-19/h2-6H2,1H3.
What are the key properties of 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 295.70 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).