2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C11H12ClN5O — CID 80760788

IUPAC2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyYEDVPTNAXCXYNI-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.25
Rot. Bonds4

About 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80760788) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80760788
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2ccccc2Cl)n1
InChIInChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyYEDVPTNAXCXYNI-UHFFFAOYSA-N
XLogP2.25
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80760788) is 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is YEDVPTNAXCXYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-6-4-3-5-7(8)12/h3-6H,2H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 265.70 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80760788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).