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

C11H12ClN5O — CID 80761343

IUPAC2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyJUUNBCPOVYEYEB-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.25
Rot. Bonds4

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

2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80761343) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80761343
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17)
InChIKeyJUUNBCPOVYEYEB-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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Related Compounds

6-ethoxy-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80737984
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
2-N-(3,4-difluorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80762744
2-N-(3-ethoxyphenyl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80785420
2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
6-ethoxy-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80758411
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
2-N,4-N-bis(3-chlorophenyl)-1,3,5-triazine-2,4,6-triamine;5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 67107869
6-methoxy-2-N-(3-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754961
2-N-(3-chlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 4688948

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80761343) is 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JUUNBCPOVYEYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-2-18-11-16-9(13)15-10(17-11)14-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(3-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-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80761343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).