2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C23H27N5O — CID 112928044

IUPAC2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-16-8-9-19(17(2)14-16)26-23-24-18(3)15-22(27-23)25-20-6-4-5-7-21(20)28-10-12-29-13-11-28/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,26,27)
InChIKeyQCCBFOXGGKETMC-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.73
Rot. Bonds5

About 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 112928044) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID112928044
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2nc(C)cc(Nc3ccccc3N3CCOCC3)n2)c(C)c1
InChIInChI=1S/C23H27N5O/c1-16-8-9-19(17(2)14-16)26-23-24-18(3)15-22(27-23)25-20-6-4-5-7-21(20)28-10-12-29-13-11-28/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,26,27)
InChIKeyQCCBFOXGGKETMC-UHFFFAOYSA-N
XLogP4.73
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112907508
6-methyl-4-N-(2-morpholin-4-ylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907068
4-methyl-N-(2-morpholin-4-ylphenyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909374
4-N-[3-(dimethylamino)propyl]-6-methyl-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112913560
2-N,4-N-bis(2,4-dimethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 16955713
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
6-N-(2-morpholin-4-ylphenyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112865565
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
5-N-(4-methylphenyl)-3-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962217
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
3-N-(3-methylphenyl)-5-N-(2-morpholin-4-ylphenyl)-1,2,4-triazine-3,5-diamine
CID 112962114
4-N-ethyl-6-methyl-2-N-(2-morpholin-4-ylphenyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112928805

Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 112928044) is 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2nc(C)cc(Nc3ccccc3N3CCOCC3)n2)c(C)c1.
What is the InChIKey of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is QCCBFOXGGKETMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-16-8-9-19(17(2)14-16)26-23-24-18(3)15-22(27-23)25-20-6-4-5-7-21(20)28-10-12-29-13-11-28/h4-9,14-15H,10-13H2,1-3H3,(H2,24,25,26,27).
What are the key properties of 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 389.50 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dimethylphenyl)-6-methyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112928044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).