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

C9H15ClN4O3 — CID 106197176

IUPAC4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(OC)OC)n1
InChIInChI=1S/C9H15ClN4O3/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(15-2)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyGKYAPGPBAPQFHN-UHFFFAOYSA-N
MW262.70 g/mol
LogP0.95
Rot. Bonds7

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

4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 106197176) has the molecular formula C9H15ClN4O3 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID106197176
Molecular FormulaC9H15ClN4O3
Molecular Weight262.70 g/mol
Exact Mass262.08
IUPAC Name4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NCC(OC)OC)n1
InChIInChI=1S/C9H15ClN4O3/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(15-2)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14)
InChIKeyGKYAPGPBAPQFHN-UHFFFAOYSA-N
XLogP0.95
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-N-(2,2-dimethoxyethyl)-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

Related Compounds

4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 106116866
6-chloro-4-N-(2,2-dimethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106197149
4-chloro-6-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,3,5-triazin-2-amine
CID 62994572
4-chloro-6-ethoxy-N-[(1-ethylcyclobutyl)methyl]-1,3,5-triazin-2-amine
CID 114109143
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-N,N-dimethylacetamide
CID 62857041
1-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 114165069
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine (CID 106197176) is 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NCC(OC)OC)n1.
What is the InChIKey of 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is GKYAPGPBAPQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3/c1-4-17-9-13-7(10)12-8(14-9)11-5-6(15-2)16-3/h6H,4-5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 262.70 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 106197176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).