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

C22H27ClN6O — CID 171851275

IUPAC2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C22H27ClN6O/c1-14-7-8-17(13-15(14)2)29-21(25-19-6-4-5-18(23)16(19)3)26-20(24)27-22(29)28-9-11-30-12-10-28/h4-8,13,21,25H,9-12H2,1-3H3,(H2,24,26)
InChIKeyATFJZSJCNOWYBD-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.48
Rot. Bonds3

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

2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (PubChem CID 171851275) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
PubChem CID171851275
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2cccc(Cl)c2C)cc1C
InChIInChI=1S/C22H27ClN6O/c1-14-7-8-17(13-15(14)2)29-21(25-19-6-4-5-18(23)16(19)3)26-20(24)27-22(29)28-9-11-30-12-10-28/h4-8,13,21,25H,9-12H2,1-3H3,(H2,24,26)
InChIKeyATFJZSJCNOWYBD-UHFFFAOYSA-N
XLogP3.48
TPSA78.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-(3-fluorophenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851420
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(3,4-dimethylphenyl)-6-pyrrolidin-1-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851173
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-(3,4-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-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851202
2-N-(4-chlorophenyl)-1-(4-methylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine;hydrochloride
CID 171851201
2-N-(3-chlorophenyl)-1-(4-ethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine
CID 171851200
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-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine (CID 171851275) is 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is Cc1ccc(N2C(N3CCOCC3)=NC(N)=NC2Nc2cccc(Cl)c2C)cc1C.
What is the InChIKey of 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
The InChIKey is ATFJZSJCNOWYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c1-14-7-8-17(13-15(14)2)29-21(25-19-6-4-5-18(23)16(19)3)26-20(24)27-22(29)28-9-11-30-12-10-28/h4-8,13,21,25H,9-12H2,1-3H3,(H2,24,26).
What are the key properties of 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine?
2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine has a molecular weight of 426.95 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-6-morpholin-4-yl-2H-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171851275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).