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

C20H22Cl2N6O2 — CID 171851174

IUPAC2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N6O2/c1-29-17-5-3-2-4-16(17)28-19(24-13-6-7-14(21)15(22)12-13)25-18(23)26-20(28)27-8-10-30-11-9-27/h2-7,12,19,24H,8-11H2,1H3,(H2,23,25)
InChIKeyKAQPAQQTVRTAHS-UHFFFAOYSA-N
MW449.34 g/mol
LogP3.22
Rot. Bonds4

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

2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851174) has the molecular formula C20H22Cl2N6O2 and a molecular weight of 449.34 g/mol. Its IUPAC name is 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851174
Molecular FormulaC20H22Cl2N6O2
Molecular Weight449.34 g/mol
Exact Mass448.12
IUPAC Name2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H22Cl2N6O2/c1-29-17-5-3-2-4-16(17)28-19(24-13-6-7-14(21)15(22)12-13)25-18(23)26-20(28)27-8-10-30-11-9-27/h2-7,12,19,24H,8-11H2,1H3,(H2,23,25)
InChIKeyKAQPAQQTVRTAHS-UHFFFAOYSA-N
XLogP3.22
TPSA87.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.34
LogP ≤ 53.22
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-(3,5-dimethylphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851322
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-chloro-4-methoxyphenyl)-6-morpholin-4-yl-1-phenyl-2H-1,3,5-triazine-2,4-diamine
CID 171851398
2-N-(4-ethoxyphenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851167
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,1-bis(2,4-dimethoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851150
2-N-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851086
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-chloro-4-fluorophenyl)-1-(3,5-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851446
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-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851202

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851174) is 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is COc1ccccc1N1C(N2CCOCC2)=NC(N)=NC1Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is KAQPAQQTVRTAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O2/c1-29-17-5-3-2-4-16(17)28-19(24-13-6-7-14(21)15(22)12-13)25-18(23)26-20(28)27-8-10-30-11-9-27/h2-7,12,19,24H,8-11H2,1H3,(H2,23,25).
What are the key properties of 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 449.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dichlorophenyl)-1-(2-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).