4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine

C7H10Cl2N4O — CID 14027402

IUPAC4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCCl)n1
InChIInChI=1S/C7H10Cl2N4O/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4H2,1H3,(H,10,11,12,13)
InChIKeyQSIWOIOEDXOPOO-UHFFFAOYSA-N
MW237.09 g/mol
LogP1.57
Rot. Bonds5

About 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine

4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 14027402) has the molecular formula C7H10Cl2N4O and a molecular weight of 237.09 g/mol. Its IUPAC name is 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID14027402
Molecular FormulaC7H10Cl2N4O
Molecular Weight237.09 g/mol
Exact Mass236.02
IUPAC Name4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCCCl)n1
InChIInChI=1S/C7H10Cl2N4O/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4H2,1H3,(H,10,11,12,13)
InChIKeyQSIWOIOEDXOPOO-UHFFFAOYSA-N
XLogP1.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62858233
ethyl 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propanoate
CID 62858556
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-6-ethoxy-N-[2-(2-methylprop-2-enoxy)ethyl]-1,3,5-triazin-2-amine
CID 114156897
4-chloro-N-[2-(3,5-difluorophenyl)ethyl]-6-ethoxy-1,3,5-triazin-2-amine
CID 62858893
tert-butyl N-[2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]ethyl]carbamate
CID 114518281
6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
4-chloro-6-ethoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3,5-triazin-2-amine
CID 63330777
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 14027402) is 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCCCl)n1.
What is the InChIKey of 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is QSIWOIOEDXOPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4O/c1-2-14-7-12-5(9)11-6(13-7)10-4-3-8/h2-4H2,1H3,(H,10,11,12,13).
What are the key properties of 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 237.09 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 14027402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).