2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C23H28N6O3 — CID 18580160

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H28N6O3/c1-4-16-5-7-17(8-6-16)24-21-26-22(28-23(27-21)29-11-13-32-14-12-29)25-18-9-10-19(30-2)20(15-18)31-3/h5-10,15H,4,11-14H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyLMFCEVUPORTJSZ-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.78
Rot. Bonds8

About 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18580160) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID18580160
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C23H28N6O3/c1-4-16-5-7-17(8-6-16)24-21-26-22(28-23(27-21)29-11-13-32-14-12-29)25-18-9-10-19(30-2)20(15-18)31-3/h5-10,15H,4,11-14H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyLMFCEVUPORTJSZ-UHFFFAOYSA-N
XLogP3.78
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 18580160) is 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCc1ccc(Nc2nc(Nc3ccc(OC)c(OC)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LMFCEVUPORTJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-4-16-5-7-17(8-6-16)24-21-26-22(28-23(27-21)29-11-13-32-14-12-29)25-18-9-10-19(30-2)20(15-18)31-3/h5-10,15H,4,11-14H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 436.52 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18580160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).