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

C8H14ClN5 — CID 56988208

IUPAC4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(Cl)nc(C(C)N)n1
InChIInChI=1S/C8H14ClN5/c1-4(2)11-8-13-6(5(3)10)12-7(9)14-8/h4-5H,10H2,1-3H3,(H,11,12,13,14)
InChIKeyBJQTVCFUMOSSCB-UHFFFAOYSA-N
MW215.69 g/mol
LogP1.37
Rot. Bonds3

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

4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 56988208) has the molecular formula C8H14ClN5 and a molecular weight of 215.69 g/mol. Its IUPAC name is 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID56988208
Molecular FormulaC8H14ClN5
Molecular Weight215.69 g/mol
Exact Mass215.09
IUPAC Name4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)Nc1nc(Cl)nc(C(C)N)n1
InChIInChI=1S/C8H14ClN5/c1-4(2)11-8-13-6(5(3)10)12-7(9)14-8/h4-5H,10H2,1-3H3,(H,11,12,13,14)
InChIKeyBJQTVCFUMOSSCB-UHFFFAOYSA-N
XLogP1.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.69
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine (CID 56988208) is 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine is CC(C)Nc1nc(Cl)nc(C(C)N)n1.
What is the InChIKey of 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is BJQTVCFUMOSSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5/c1-4(2)11-8-13-6(5(3)10)12-7(9)14-8/h4-5H,10H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine?
4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 215.69 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-6-chloro-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 56988208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).