4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine

C6H9ClN4O — CID 589056

IUPAC4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(CCl)n1
InChIInChI=1S/C6H9ClN4O/c1-2-12-6-10-4(3-7)9-5(8)11-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyQMKHGUBNAKZCRX-UHFFFAOYSA-N
MW188.62 g/mol
LogP0.59
Rot. Bonds3

About 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine

4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 589056) has the molecular formula C6H9ClN4O and a molecular weight of 188.62 g/mol. Its IUPAC name is 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID589056
Molecular FormulaC6H9ClN4O
Molecular Weight188.62 g/mol
Exact Mass188.05
IUPAC Name4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(N)nc(CCl)n1
InChIInChI=1S/C6H9ClN4O/c1-2-12-6-10-4(3-7)9-5(8)11-6/h2-3H2,1H3,(H2,8,9,10,11)
InChIKeyQMKHGUBNAKZCRX-UHFFFAOYSA-N
XLogP0.59
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.62
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-6-ethoxy-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-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 589056) is 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(N)nc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QMKHGUBNAKZCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN4O/c1-2-12-6-10-4(3-7)9-5(8)11-6/h2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 188.62 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 589056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).