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

C9H11ClF3N5 — CID 55124532

IUPAC4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H11ClF3N5/c10-6-15-7(14-5-9(11,12)13)17-8(16-6)18-3-1-2-4-18/h1-5H2,(H,14,15,16,17)
InChIKeyXPCCZVBNDFGXHF-UHFFFAOYSA-N
MW281.67 g/mol
LogP2.10
Rot. Bonds3

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

4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 55124532) has the molecular formula C9H11ClF3N5 and a molecular weight of 281.67 g/mol. Its IUPAC name is 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID55124532
Molecular FormulaC9H11ClF3N5
Molecular Weight281.67 g/mol
Exact Mass281.07
IUPAC Name4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESFC(F)(F)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H11ClF3N5/c10-6-15-7(14-5-9(11,12)13)17-8(16-6)18-3-1-2-4-18/h1-5H2,(H,14,15,16,17)
InChIKeyXPCCZVBNDFGXHF-UHFFFAOYSA-N
XLogP2.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

s-Triazine, 2,4-bis(methylamino)-6-(1-pyrrolidinyl)-
CID 204411
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-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-piperazin-1-yl-1,3,5-triazine
CID 177317905
6-Pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 24198516
4-chloro-6-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,3,5-triazin-2-amine
CID 62859660
4-chloro-N-cyclopropyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863616
4-chloro-N-propyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864136
4-chloro-N-methyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864230
4-chloro-N-propan-2-yl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864488
4-chloro-N-ethyl-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 55124532) is 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is FC(F)(F)CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is XPCCZVBNDFGXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N5/c10-6-15-7(14-5-9(11,12)13)17-8(16-6)18-3-1-2-4-18/h1-5H2,(H,14,15,16,17).
What are the key properties of 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 281.67 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-pyrrolidin-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).