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

C21H25ClN6O2 — CID 18580362

IUPAC2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-15-6-5-7-16(14-15)22-19-24-20(23-17-8-3-4-9-18(17)28-2)26-21(25-19)27-10-12-29-13-11-27;/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26);1H
InChIKeyZNDYLBFHXUXIII-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.93
Rot. Bonds6

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

2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 18580362) has the molecular formula C21H25ClN6O2 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID18580362
Molecular FormulaC21H25ClN6O2
Molecular Weight428.92 g/mol
Exact Mass428.17
IUPAC Name2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(N2CCOCC2)n1.Cl
InChIInChI=1S/C21H24N6O2.ClH/c1-15-6-5-7-16(14-15)22-19-24-20(23-17-8-3-4-9-18(17)28-2)26-21(25-19)27-10-12-29-13-11-27;/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26);1H
InChIKeyZNDYLBFHXUXIII-UHFFFAOYSA-N
XLogP3.93
TPSA84.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-N,4-N-bis(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;dihydrochloride
CID 45136690
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-N-(3-fluorophenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580341
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
2-N-(1,3-benzodioxol-5-yl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580304
2-N-(3-chloro-4-methylphenyl)-4-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580190
N-(2-methoxyphenyl)-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine;hydrochloride
CID 18584608
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-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364
4-N-(4-ethylphenyl)-2-N-(3-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580284

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride (CID 18580362) is 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is COc1ccccc1Nc1nc(Nc2cccc(C)c2)nc(N2CCOCC2)n1.Cl.
What is the InChIKey of 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is ZNDYLBFHXUXIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.ClH/c1-15-6-5-7-16(14-15)22-19-24-20(23-17-8-3-4-9-18(17)28-2)26-21(25-19)27-10-12-29-13-11-27;/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26);1H.
What are the key properties of 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 428.92 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 18580362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).