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

C21H26Cl2N6O3 — CID 45136690

IUPAC2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCOc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)c1.Cl.Cl
InChIInChI=1S/C21H24N6O3.2ClH/c1-28-17-7-3-5-15(13-17)22-19-24-20(23-16-6-4-8-18(14-16)29-2)26-21(25-19)27-9-11-30-12-10-27;;/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26);2*1H
InChIKeyWERAIOJNPWRKBG-UHFFFAOYSA-N
MW481.38 g/mol
LogP4.06
Rot. Bonds7

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

2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride (PubChem CID 45136690) has the molecular formula C21H26Cl2N6O3 and a molecular weight of 481.38 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
PubChem CID45136690
Molecular FormulaC21H26Cl2N6O3
Molecular Weight481.38 g/mol
Exact Mass480.14
IUPAC Name2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
SMILESCOc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)c1.Cl.Cl
InChIInChI=1S/C21H24N6O3.2ClH/c1-28-17-7-3-5-15(13-17)22-19-24-20(23-16-6-4-8-18(14-16)29-2)26-21(25-19)27-9-11-30-12-10-27;;/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26);2*1H
InChIKeyWERAIOJNPWRKBG-UHFFFAOYSA-N
XLogP4.06
TPSA93.66 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.38
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride with MolForge

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Related Compounds

2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
2-N-(3,4-dimethylphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580298
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N-(4-chlorophenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 42477743
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
4-(azepan-1-yl)-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 39847912
4-methoxy-6-morpholin-4-yl-N-phenyl-1,3,5-triazin-2-amine
CID 1077239

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The IUPAC name of 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride (CID 45136690) is 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The canonical SMILES for 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride is COc1cccc(Nc2nc(Nc3cccc(OC)c3)nc(N3CCOCC3)n2)c1.Cl.Cl.
What is the InChIKey of 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
The InChIKey is WERAIOJNPWRKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3.2ClH/c1-28-17-7-3-5-15(13-17)22-19-24-20(23-16-6-4-8-18(14-16)29-2)26-21(25-19)27-9-11-30-12-10-27;;/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26);2*1H.
What are the key properties of 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride?
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride has a molecular weight of 481.38 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 45136690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).