4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C8H13ClN6 — CID 53410096

IUPAC4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C8H13ClN6/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyUHEDQSRQDTVBPY-UHFFFAOYSA-N
MW228.69 g/mol
LogP-0.14
Rot. Bonds1

About 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 53410096) has the molecular formula C8H13ClN6 and a molecular weight of 228.69 g/mol. Its IUPAC name is 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID53410096
Molecular FormulaC8H13ClN6
Molecular Weight228.69 g/mol
Exact Mass228.09
IUPAC Name4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(Cl)n2)CC1
InChIInChI=1S/C8H13ClN6/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H2,10,11,12,13)
InChIKeyUHEDQSRQDTVBPY-UHFFFAOYSA-N
XLogP-0.14
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.69
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 53410096) is 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(Cl)n2)CC1.
What is the InChIKey of 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UHEDQSRQDTVBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN6/c1-14-2-4-15(5-3-14)8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 228.69 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 53410096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).