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

C20H23ClN6O — CID 171851202

IUPAC2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN6O/c1-14-2-8-17(9-3-14)27-19(23-16-6-4-15(21)5-7-16)24-18(22)25-20(27)26-10-12-28-13-11-26/h2-9,19,23H,10-13H2,1H3,(H2,22,24)
InChIKeyJYANAFWHEIJRJX-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.87
Rot. Bonds3

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

2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851202) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851202
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN6O/c1-14-2-8-17(9-3-14)27-19(23-16-6-4-15(21)5-7-16)24-18(22)25-20(27)26-10-12-28-13-11-26/h2-9,19,23H,10-13H2,1H3,(H2,22,24)
InChIKeyJYANAFWHEIJRJX-UHFFFAOYSA-N
XLogP2.87
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851201
2-N-(4-ethylphenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851412
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-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851086
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-chlorophenyl)-1-(4-ethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851200
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-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851207
2-N-(3,4-dimethylphenyl)-6-morpholin-4-yl-1-[4-(trifluoromethyl)phenyl]-2H-1,3,5-triazine-2,4-diamine
CID 171851480
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)-1-(4-methylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851387
2-N-(3-chloro-4-methoxyphenyl)-6-morpholin-4-yl-1-phenyl-2H-1,3,5-triazine-2,4-diamine
CID 171851398

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851202) is 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is Cc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is JYANAFWHEIJRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-14-2-8-17(9-3-14)27-19(23-16-6-4-15(21)5-7-16)24-18(22)25-20(27)26-10-12-28-13-11-26/h2-9,19,23H,10-13H2,1H3,(H2,22,24).
What are the key properties of 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 398.90 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).