4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

C13H20ClN5 — CID 106197256

IUPAC4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)=CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20ClN5/c1-10(2)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h6H,3-5,7-9H2,1-2H3,(H,15,16,17,18)
InChIKeyGZBNVFLQXWQWGQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.89
Rot. Bonds4

About 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106197256) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106197256
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)=CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H20ClN5/c1-10(2)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h6H,3-5,7-9H2,1-2H3,(H,15,16,17,18)
InChIKeyGZBNVFLQXWQWGQ-UHFFFAOYSA-N
XLogP2.89
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62862989
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106196907
5-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]pentan-1-ol
CID 107318317
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106197165
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
2-[[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106257393
4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156702
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 106197256) is 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is CC(C)=CCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is GZBNVFLQXWQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-10(2)6-7-15-12-16-11(14)17-13(18-12)19-8-4-3-5-9-19/h6H,3-5,7-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106197256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).