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

C23H30N6O5 — CID 171851150

IUPAC2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H30N6O5/c1-30-15-5-7-17(19(13-15)32-3)25-22-26-21(24)27-23(28-9-11-34-12-10-28)29(22)18-8-6-16(31-2)14-20(18)33-4/h5-8,13-14,22,25H,9-12H2,1-4H3,(H2,24,26)
InChIKeyWUUIJOJVAPBKRW-UHFFFAOYSA-N
MW470.53 g/mol
LogP1.94
Rot. Bonds7

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

2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851150) has the molecular formula C23H30N6O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851150
Molecular FormulaC23H30N6O5
Molecular Weight470.53 g/mol
Exact Mass470.23
IUPAC Name2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H30N6O5/c1-30-15-5-7-17(19(13-15)32-3)25-22-26-21(24)27-23(28-9-11-34-12-10-28)29(22)18-8-6-16(31-2)14-20(18)33-4/h5-8,13-14,22,25H,9-12H2,1-4H3,(H2,24,26)
InChIKeyWUUIJOJVAPBKRW-UHFFFAOYSA-N
XLogP1.94
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851323
2-N-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851167
2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851322
2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851174
2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851207
2-N-(3-fluorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851210
2-N-(5-chloro-2-methylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851338
2-N-(3-chloro-4-methylphenyl)-1-(3-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851498
2-N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-1-phenyl-2H-1,3,5-triazine-2,4-diamine
CID 171851398
2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851457
2-N-(4-ethoxyphenyl)-6-morpholin-4-yl-1-(4-propan-2-ylphenyl)-2H-1,3,5-triazine-2,4-diamine
CID 171851276
2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851275

Frequently Asked Questions

What is the IUPAC name of 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851150) is 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is COc1ccc(NC2N=C(N)N=C(N3CCOCC3)N2c2ccc(OC)cc2OC)c(OC)c1.
What is the InChIKey of 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is WUUIJOJVAPBKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O5/c1-30-15-5-7-17(19(13-15)32-3)25-22-26-21(24)27-23(28-9-11-34-12-10-28)29(22)18-8-6-16(31-2)14-20(18)33-4/h5-8,13-14,22,25H,9-12H2,1-4H3,(H2,24,26).
What are the key properties of 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 470.53 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).