2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

C19H21N5O3 — CID 23536406

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1cccc(Nc2ncnc(Nc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C19H21N5O3/c1-4-27-15-7-5-6-13(10-15)22-18-20-12-21-19(24-18)23-14-8-9-16(25-2)17(11-14)26-3/h5-12H,4H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyJEBIIOFMCNDXOA-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.77
Rot. Bonds8

About 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 23536406) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID23536406
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1cccc(Nc2ncnc(Nc3ccc(OC)c(OC)c3)n2)c1
InChIInChI=1S/C19H21N5O3/c1-4-27-15-7-5-6-13(10-15)22-18-20-12-21-19(24-18)23-14-8-9-16(25-2)17(11-14)26-3/h5-12H,4H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyJEBIIOFMCNDXOA-UHFFFAOYSA-N
XLogP3.77
TPSA90.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
N-(3-ethoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905492
3-[[4-(3,4-dimethoxyanilino)-1,3,5-triazin-2-yl]amino]propanenitrile
CID 23535836
2-N,4-N,6-N-tris[3-(2-ethoxyethoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4,6-triamine
CID 23527673
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-5H-1,6-naphthyridine-2,4-diamine
CID 68873690
5-N-(3,4-dimethoxyphenyl)-3-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967269
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
3-N-(3,4-dimethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967203
2-N-(3-bromophenyl)-4-N-(4-ethoxy-3-methoxyphenyl)pyrimidine-2,4,5-triamine
CID 70991175
3-N-(4-ethoxyphenyl)-5-N-(3-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967197
6-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)pyrido[3,2-d]pyrimidine-2,4-diamine
CID 68912324
4-N-(3,4-dimethoxyphenyl)-2-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-1,3,5-triazine-2,4-diamine
CID 23536414

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 23536406) is 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is CCOc1cccc(Nc2ncnc(Nc3ccc(OC)c(OC)c3)n2)c1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JEBIIOFMCNDXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-27-15-7-5-6-13(10-15)22-18-20-12-21-19(24-18)23-14-8-9-16(25-2)17(11-14)26-3/h5-12H,4H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 367.41 g/mol, XLogP of 3.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23536406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).