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

C13H18ClN5 — CID 114156702

IUPAC4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESC#CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H18ClN5/c1-4-13(2,3)18-11-15-10(14)16-12(17-11)19-8-6-5-7-9-19/h1H,5-9H2,2-3H3,(H,15,16,17,18)
InChIKeyONMYBFLJCQQIPK-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.34
Rot. Bonds3

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

4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 114156702) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID114156702
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESC#CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C13H18ClN5/c1-4-13(2,3)18-11-15-10(14)16-12(17-11)19-8-6-5-7-9-19/h1H,5-9H2,2-3H3,(H,15,16,17,18)
InChIKeyONMYBFLJCQQIPK-UHFFFAOYSA-N
XLogP2.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine with MolForge

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Related Compounds

N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
4-chloro-N-pent-4-yn-2-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 114156802
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-tert-butyl-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 974630
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
4-chloro-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62869030
4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 113485848
4-chloro-N-(5-methylhexan-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 63925934
4-chloro-N-cycloheptyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62870590
N-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870217
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62869546
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 114156702) is 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is C#CC(C)(C)Nc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ONMYBFLJCQQIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-4-13(2,3)18-11-15-10(14)16-12(17-11)19-8-6-5-7-9-19/h1H,5-9H2,2-3H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 279.77 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylbut-3-yn-2-yl)-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 114156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).