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

C22H26N6O2 — CID 7192051

IUPAC2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-15-4-5-18(14-16(15)2)24-21-25-20(23-17-6-8-19(29-3)9-7-17)26-22(27-21)28-10-12-30-13-11-28/h4-9,14H,10-13H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyODAASUCEOPTBGE-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.82
Rot. Bonds6

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

2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 7192051) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID7192051
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H26N6O2/c1-15-4-5-18(14-16(15)2)24-21-25-20(23-17-6-8-19(29-3)9-7-17)26-22(27-21)28-10-12-30-13-11-28/h4-9,14H,10-13H2,1-3H3,(H2,23,24,25,26,27)
InChIKeyODAASUCEOPTBGE-UHFFFAOYSA-N
XLogP3.82
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 7192051) is 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is ODAASUCEOPTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-15-4-5-18(14-16(15)2)24-21-25-20(23-17-6-8-19(29-3)9-7-17)26-22(27-21)28-10-12-30-13-11-28/h4-9,14H,10-13H2,1-3H3,(H2,23,24,25,26,27).
What are the key properties of 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 406.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7192051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).