2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine

C9H14ClN3O3 — CID 62859308

IUPAC2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCOC(C)C)n1
InChIInChI=1S/C9H14ClN3O3/c1-6(2)15-4-5-16-9-12-7(10)11-8(13-9)14-3/h6H,4-5H2,1-3H3
InChIKeyABWUNVLCVVNULO-UHFFFAOYSA-N
MW247.68 g/mol
LogP1.34
Rot. Bonds6

About 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine

2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine (PubChem CID 62859308) has the molecular formula C9H14ClN3O3 and a molecular weight of 247.68 g/mol. Its IUPAC name is 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
PubChem CID62859308
Molecular FormulaC9H14ClN3O3
Molecular Weight247.68 g/mol
Exact Mass247.07
IUPAC Name2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine
SMILESCOc1nc(Cl)nc(OCCOC(C)C)n1
InChIInChI=1S/C9H14ClN3O3/c1-6(2)15-4-5-16-9-12-7(10)11-8(13-9)14-3/h6H,4-5H2,1-3H3
InChIKeyABWUNVLCVVNULO-UHFFFAOYSA-N
XLogP1.34
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine 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

2-chloro-4-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)oxy]ethoxy]-6-methoxy-1,3,5-triazine
CID 14177471
4-chloro-N-methyl-6-(2-propan-2-yloxyethoxy)-1,3,5-triazin-2-amine
CID 80859965
2-chloro-4-heptoxy-6-methoxy-1,3,5-triazine
CID 62857809
2-(2-butoxyethoxy)-4-chloro-6-propan-2-yloxy-1,3,5-triazine
CID 55124098
2-chloro-4-octoxy-6-propan-2-yloxy-1,3,5-triazine
CID 63505127
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
2-[[4-chloro-6-(2-hydroxyethoxy)-1,3,5-triazin-2-yl]oxy]ethanol
CID 87430184
2,4-dichloro-6-[2-(3-methoxypropoxy)ethoxy]-1,3,5-triazine
CID 87430180
2-chloro-4,6-dioctadecoxy-1,3,5-triazine
CID 14236381
2,4,6-tris[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxymethoxy]-1,3,5-triazine
CID 170244173
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)sulfanyl]butan-2-ol
CID 107770967
5-bromo-2-(2-propan-2-yloxyethoxy)pyrimidine
CID 63867544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine (CID 62859308) is 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine is COc1nc(Cl)nc(OCCOC(C)C)n1.
What is the InChIKey of 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine?
The InChIKey is ABWUNVLCVVNULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O3/c1-6(2)15-4-5-16-9-12-7(10)11-8(13-9)14-3/h6H,4-5H2,1-3H3.
What are the key properties of 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine?
2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine has a molecular weight of 247.68 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-6-(2-propan-2-yloxyethoxy)-1,3,5-triazine is sourced from PubChem (CID 62859308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).