2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine

C13H14ClN3O2 — CID 58039547

IUPAC2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-19-13-16-11(15-12(14)17-13)8-9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyNCUKZPNYHYXWQD-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.52
Rot. Bonds5

About 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine

2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine (PubChem CID 58039547) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
PubChem CID58039547
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Cc2ccc(OC)cc2)n1
InChIInChI=1S/C13H14ClN3O2/c1-3-19-13-16-11(15-12(14)17-13)8-9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3
InChIKeyNCUKZPNYHYXWQD-UHFFFAOYSA-N
XLogP2.52
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine (CID 58039547) is 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine is CCOc1nc(Cl)nc(Cc2ccc(OC)cc2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine?
The InChIKey is NCUKZPNYHYXWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-3-19-13-16-11(15-12(14)17-13)8-9-4-6-10(18-2)7-5-9/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine?
2-chloro-4-ethoxy-6-[(4-methoxyphenyl)methyl]-1,3,5-triazine has a molecular weight of 279.73 g/mol, XLogP of 2.52, 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-[(4-methoxyphenyl)methyl]-1,3,5-triazine is sourced from PubChem (CID 58039547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).