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

C23H28N6O3 — CID 18580161

IUPAC4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C23H28N6O3/c1-15-11-16(2)13-18(12-15)25-22-26-21(27-23(28-22)29-7-9-32-10-8-29)24-17-5-6-19(30-3)20(14-17)31-4/h5-6,11-14H,7-10H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyYITCQLAFBRTKJK-UHFFFAOYSA-N
MW436.52 g/mol
LogP3.83
Rot. Bonds7

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

4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 18580161) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID18580161
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C23H28N6O3/c1-15-11-16(2)13-18(12-15)25-22-26-21(27-23(28-22)29-7-9-32-10-8-29)24-17-5-6-19(30-3)20(14-17)31-4/h5-6,11-14H,7-10H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyYITCQLAFBRTKJK-UHFFFAOYSA-N
XLogP3.83
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 18580161) is 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3cc(C)cc(C)c3)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YITCQLAFBRTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-15-11-16(2)13-18(12-15)25-22-26-21(27-23(28-22)29-7-9-32-10-8-29)24-17-5-6-19(30-3)20(14-17)31-4/h5-6,11-14H,7-10H2,1-4H3,(H2,24,25,26,27,28).
What are the key properties of 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 436.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethoxyphenyl)-2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 18580161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).