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

C22H29ClN6O2 — CID 171851322

IUPAC2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-15-12-16(2)14-17(13-15)24-21-25-20(23)26-22(27-8-10-30-11-9-27)28(21)18-6-4-5-7-19(18)29-3;/h4-7,12-14,21,24H,8-11H2,1-3H3,(H2,23,25);1H
InChIKeyYYRPYQLNMIQTQA-UHFFFAOYSA-N
MW444.97 g/mol
LogP2.95
Rot. Bonds4

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

2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 171851322) has the molecular formula C22H29ClN6O2 and a molecular weight of 444.97 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID171851322
Molecular FormulaC22H29ClN6O2
Molecular Weight444.97 g/mol
Exact Mass444.20
IUPAC Name2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCOc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C22H28N6O2.ClH/c1-15-12-16(2)14-17(13-15)24-21-25-20(23)26-22(27-8-10-30-11-9-27)28(21)18-6-4-5-7-19(18)29-3;/h4-7,12-14,21,24H,8-11H2,1-3H3,(H2,23,25);1H
InChIKeyYYRPYQLNMIQTQA-UHFFFAOYSA-N
XLogP2.95
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.97
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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-(3-fluorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851210
2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851174
2-N-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851167
2-N,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851150
2-N,1-bis(3-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851474
2-N-(3,5-dimethylphenyl)-6-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851492
2-N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-1-phenyl-2H-1,3,5-triazine-2,4-diamine
CID 171851398
2-N-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851207
2-N-(3,5-dimethylphenyl)-1-phenyl-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851185
2-N-(3,5-dimethylphenyl)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851387
2-N-(3-chloro-4-fluorophenyl)-1-(3,5-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851446

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride (CID 171851322) is 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is COc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1cc(C)cc(C)c1.Cl.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is YYRPYQLNMIQTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2.ClH/c1-15-12-16(2)14-17(13-15)24-21-25-20(23)26-22(27-8-10-30-11-9-27)28(21)18-6-4-5-7-19(18)29-3;/h4-7,12-14,21,24H,8-11H2,1-3H3,(H2,23,25);1H.
What are the key properties of 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride?
2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 444.97 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 171851322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).