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

C21H24N6O3 — CID 42065577

IUPAC2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-28-17-9-8-16(14-18(17)29-2)23-20-24-19(22-15-6-4-3-5-7-15)25-21(26-20)27-10-12-30-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyQFABZFLHBBYGGT-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.21
Rot. Bonds7

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

2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 42065577) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID42065577
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OC
InChIInChI=1S/C21H24N6O3/c1-28-17-9-8-16(14-18(17)29-2)23-20-24-19(22-15-6-4-3-5-7-15)25-21(26-20)27-10-12-30-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyQFABZFLHBBYGGT-UHFFFAOYSA-N
XLogP3.21
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.21
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)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 42065577) is 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QFABZFLHBBYGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-28-17-9-8-16(14-18(17)29-2)23-20-24-19(22-15-6-4-3-5-7-15)25-21(26-20)27-10-12-30-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 408.46 g/mol, XLogP of 3.21, 7 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)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42065577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).