2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine

C11H12ClN3O2 — CID 58039750

IUPAC2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(CCc2ccco2)n1
InChIInChI=1S/C11H12ClN3O2/c1-2-16-11-14-9(13-10(12)15-11)6-5-8-4-3-7-17-8/h3-4,7H,2,5-6H2,1H3
InChIKeyDZJPBJUQGHHHAN-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.30
Rot. Bonds5

About 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine

2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine (PubChem CID 58039750) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine
PubChem CID58039750
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(CCc2ccco2)n1
InChIInChI=1S/C11H12ClN3O2/c1-2-16-11-14-9(13-10(12)15-11)6-5-8-4-3-7-17-8/h3-4,7H,2,5-6H2,1H3
InChIKeyDZJPBJUQGHHHAN-UHFFFAOYSA-N
XLogP2.30
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-ethoxy-N-[2-(furan-2-yl)ethyl]-1,3,5-triazin-2-amine
CID 62857408
4-ethoxy-6-(furan-2-ylmethoxy)-1,3,5-triazin-2-amine
CID 80859367
4-chloro-N-(furan-2-ylmethyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869024
4-ethoxy-N-(furan-2-ylmethyl)-6-methyl-1,3,5-triazin-2-amine
CID 143835245
6-chloro-4-N-ethyl-2-N-[2-(furan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80802955
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]-1-methylbenzimidazole
CID 79754810
6-chloro-2-N-[4-(furan-2-yl)butan-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804357
4-chloro-2-ethoxypyrimidine
CID 13244895
6-chloro-4-N-ethyl-2-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1146272
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
methyl 4-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)methyl]benzoate
CID 58222965
2-(ethylperoxymethyl)furan
CID 175094388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine (CID 58039750) is 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine is CCOc1nc(Cl)nc(CCc2ccco2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine?
The InChIKey is DZJPBJUQGHHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-16-11-14-9(13-10(12)15-11)6-5-8-4-3-7-17-8/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine?
2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine has a molecular weight of 253.69 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-[2-(furan-2-yl)ethyl]-1,3,5-triazine is sourced from PubChem (CID 58039750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).