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

C12H19ClN6 — CID 71597111

IUPAC4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C12H19ClN6/c1-2-18-5-7-19(8-6-18)12-16-10(13)15-11(17-12)14-9-3-4-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyCATLNUZVBHMWEM-UHFFFAOYSA-N
MW282.78 g/mol
LogP1.24
Rot. Bonds4

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

4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 71597111) has the molecular formula C12H19ClN6 and a molecular weight of 282.78 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID71597111
Molecular FormulaC12H19ClN6
Molecular Weight282.78 g/mol
Exact Mass282.14
IUPAC Name4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCCN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1
InChIInChI=1S/C12H19ClN6/c1-2-18-5-7-19(8-6-18)12-16-10(13)15-11(17-12)14-9-3-4-9/h9H,2-8H2,1H3,(H,14,15,16,17)
InChIKeyCATLNUZVBHMWEM-UHFFFAOYSA-N
XLogP1.24
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.78
LogP ≤ 51.24
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-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 71597111) is 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine is CCN1CCN(c2nc(Cl)nc(NC3CC3)n2)CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is CATLNUZVBHMWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6/c1-2-18-5-7-19(8-6-18)12-16-10(13)15-11(17-12)14-9-3-4-9/h9H,2-8H2,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-cyclopropyl-6-(4-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 282.78 g/mol, XLogP of 1.24, 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-ethylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71597111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).