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

C21H24N6O — CID 39847761

IUPAC2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H24N6O/c1-15-8-9-16(2)18(14-15)23-20-24-19(22-17-6-4-3-5-7-17)25-21(26-20)27-10-12-28-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyJOGJBRGCJPSUKH-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds5

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

2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 39847761) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID39847761
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(C)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H24N6O/c1-15-8-9-16(2)18(14-15)23-20-24-19(22-17-6-4-3-5-7-17)25-21(26-20)27-10-12-28-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyJOGJBRGCJPSUKH-UHFFFAOYSA-N
XLogP3.81
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
2-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]-N-(2,5-dimethylphenyl)acetamide
CID 126397519
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
2-N-(2-methoxyphenyl)-4-N-(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580362
6-morpholin-4-yl-2-N,4-N-bis(4-phenylphenyl)-1,3,5-triazine-2,4-diamine
CID 10074710
6-morpholin-4-yl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 22115031
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
N-(3,4-dimethylphenyl)-4-morpholin-4-yl-6-(4-phenylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 42477791
4-N-(3,4-dimethylphenyl)-2-N-(2-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580291

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 39847761) is 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is Cc1ccc(C)c(Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JOGJBRGCJPSUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-8-9-16(2)18(14-15)23-20-24-19(22-17-6-4-3-5-7-17)25-21(26-20)27-10-12-28-13-11-27/h3-9,14H,10-13H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 376.46 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 39847761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).