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

C21H24N6O — CID 1327302

IUPAC2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H24N6O/c1-15-5-3-7-17(13-15)22-19-24-20(23-18-8-4-6-16(2)14-18)26-21(25-19)27-9-11-28-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyRCNQBNUYIYJXKA-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds5

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

2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 1327302) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID1327302
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C21H24N6O/c1-15-5-3-7-17(13-15)22-19-24-20(23-18-8-4-6-16(2)14-18)26-21(25-19)27-9-11-28-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26)
InChIKeyRCNQBNUYIYJXKA-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,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-Anilino-4,6-DI(4-morpholinyl)-1,3,5-triazine
CID 749680
1,3,5-Triazine-2,4-diamine, 6-(4-morpholinyl)-n2,n4-diphenyl-
CID 780750
4-({4-[3-(Morpholin-4-Yl)propoxy]-6-[(2,4,6-Trimethylphenyl)amino]-1,3,5-Triazin-2-Yl}amino)benzonitrile
CID 72163596
4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylanilino}-6-[3-(morpholin-4-yl)propoxy]-1,3,5-triazin-2-yl)amino]benzonitrile
CID 72163598
4-[[4-(2,6-Difluoro-4-methyl-anilino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 72163599
(4,6-Di-morpholin-4-yl-[1,3,5]triazin-2-yl)-m-tolyl-amine
CID 1117926
2-[[4-(3-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 3146158
2-[[4-(4-Methylanilino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 23648018
N-(2-Morpholin-4-yl-ethyl)-N',N''-diphenyl-[1,3,5]triazine-2,4,6-triamine
CID 1095342
N,N'-bis(4-fluorophenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
CID 1333301
N2,N4-bis(p-tolyl)-N6-(tetrahydrofuran-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 2861253
4-(diphenylamino)-N,N,N-trimethyl-6-(morpholin-4-yl)-1,3,5-triazin-2-aminium
CID 3513539

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 1327302) is 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RCNQBNUYIYJXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-5-3-7-17(13-15)22-19-24-20(23-18-8-4-6-16(2)14-18)26-21(25-19)27-9-11-28-12-10-27/h3-8,13-14H,9-12H2,1-2H3,(H2,22,23,24,25,26).
What are the key properties of 2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-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,4-N-bis(3-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1327302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).