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

C11H17ClN6 — CID 71596833

IUPAC4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C11H17ClN6/c1-17-4-6-18(7-5-17)11-15-9(12)14-10(16-11)13-8-2-3-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyAJUAHEKDWMKQTK-UHFFFAOYSA-N
MW268.75 g/mol
LogP0.85
Rot. Bonds3

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

4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 71596833) has the molecular formula C11H17ClN6 and a molecular weight of 268.75 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID71596833
Molecular FormulaC11H17ClN6
Molecular Weight268.75 g/mol
Exact Mass268.12
IUPAC Name4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C11H17ClN6/c1-17-4-6-18(7-5-17)11-15-9(12)14-10(16-11)13-8-2-3-8/h8H,2-7H2,1H3,(H,13,14,15,16)
InChIKeyAJUAHEKDWMKQTK-UHFFFAOYSA-N
XLogP0.85
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 71596833) is 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AJUAHEKDWMKQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN6/c1-17-4-6-18(7-5-17)11-15-9(12)14-10(16-11)13-8-2-3-8/h8H,2-7H2,1H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 268.75 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71596833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).