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

C23H28N6O — CID 16955713

IUPAC2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C23H28N6O/c1-15-5-7-19(17(3)13-15)24-21-26-22(25-20-8-6-16(2)14-18(20)4)28-23(27-21)29-9-11-30-12-10-29/h5-8,13-14H,9-12H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyLPXLMMBHMNYLAZ-UHFFFAOYSA-N
MW404.52 g/mol
LogP4.43
Rot. Bonds5

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

2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 16955713) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID16955713
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C23H28N6O/c1-15-5-7-19(17(3)13-15)24-21-26-22(25-20-8-6-16(2)14-18(20)4)28-23(27-21)29-9-11-30-12-10-29/h5-8,13-14H,9-12H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyLPXLMMBHMNYLAZ-UHFFFAOYSA-N
XLogP4.43
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-(4-iodo-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 1131976
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
4-chloro-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 3732346
N-(2-chloro-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 20994610
N-(2-methoxy-5-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 7589328
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112928044
4-chloro-N-(2-methylphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 748919
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
2-N-(3-methylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580405
2-[[[4-(2,5-dimethylanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 3098991
2-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80751542
2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine;hydrochloride
CID 18580364

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 16955713) is 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(N3CCOCC3)n2)c(C)c1.
What is the InChIKey of 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is LPXLMMBHMNYLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-15-5-7-19(17(3)13-15)24-21-26-22(25-20-8-6-16(2)14-18(20)4)28-23(27-21)29-9-11-30-12-10-29/h5-8,13-14H,9-12H2,1-4H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 404.52 g/mol, XLogP of 4.43, 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(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 16955713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).