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

C13H21ClN6 — CID 71597017

IUPAC4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C13H21ClN6/c1-9(2)19-5-7-20(8-6-19)13-17-11(14)16-12(18-13)15-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyHHKRNTQEDADAQK-UHFFFAOYSA-N
MW296.81 g/mol
LogP1.63
Rot. Bonds4

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

4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 71597017) has the molecular formula C13H21ClN6 and a molecular weight of 296.81 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID71597017
Molecular FormulaC13H21ClN6
Molecular Weight296.81 g/mol
Exact Mass296.15
IUPAC Name4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCC(C)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C13H21ClN6/c1-9(2)19-5-7-20(8-6-19)13-17-11(14)16-12(18-13)15-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyHHKRNTQEDADAQK-UHFFFAOYSA-N
XLogP1.63
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.81
LogP ≤ 51.63
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-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 71597017) is 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is CC(C)N1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is HHKRNTQEDADAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN6/c1-9(2)19-5-7-20(8-6-19)13-17-11(14)16-12(18-13)15-10-3-4-10/h9-10H,3-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 296.81 g/mol, XLogP of 1.63, 4 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-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).