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

C9H12ClF2N5 — CID 115408246

IUPAC4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESFC(F)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H12ClF2N5/c10-7-14-8(13-5-6(11)12)16-9(15-7)17-3-1-2-4-17/h6H,1-5H2,(H,13,14,15,16)
InChIKeyVPAXTYXUGUBMQT-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.80
Rot. Bonds4

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

4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 115408246) has the molecular formula C9H12ClF2N5 and a molecular weight of 263.68 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID115408246
Molecular FormulaC9H12ClF2N5
Molecular Weight263.68 g/mol
Exact Mass263.07
IUPAC Name4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESFC(F)CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H12ClF2N5/c10-7-14-8(13-5-6(11)12)16-9(15-7)17-3-1-2-4-17/h6H,1-5H2,(H,13,14,15,16)
InChIKeyVPAXTYXUGUBMQT-UHFFFAOYSA-N
XLogP1.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
CID 63297460
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 115408246) is 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is FC(F)CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is VPAXTYXUGUBMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2N5/c10-7-14-8(13-5-6(11)12)16-9(15-7)17-3-1-2-4-17/h6H,1-5H2,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 263.68 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115408246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).