6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine

C20H23N5O — CID 22541866

IUPAC6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)c2C)c1N
InChIInChI=1S/C20H23N5O/c1-12-8-9-17(26-4)16(10-12)25-20-18(21)19(22-11-23-20)24-15-7-5-6-13(2)14(15)3/h5-11H,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyVXKNVFMEQAVWKQ-UHFFFAOYSA-N
MW349.44 g/mol
LogP4.48
Rot. Bonds5

About 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine

6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 22541866) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
PubChem CID22541866
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
SMILESCOc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)c2C)c1N
InChIInChI=1S/C20H23N5O/c1-12-8-9-17(26-4)16(10-12)25-20-18(21)19(22-11-23-20)24-15-7-5-6-13(2)14(15)3/h5-11H,21H2,1-4H3,(H2,22,23,24,25)
InChIKeyVXKNVFMEQAVWKQ-UHFFFAOYSA-N
XLogP4.48
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine 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-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
2-[2-(2-methoxy-5-methylanilino)-6-methylphenyl]-N-(2-methoxy-5-methylphenyl)-3-methylaniline
CID 101202824
6-N-(2,4-dichlorophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541920
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
4-N-(2-methoxy-5-methylphenyl)-6-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22541980
4-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541918
6-N-(2-methoxy-5-methylphenyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5,6-triamine
CID 22541991
methyl 4-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 22541916
6-N-(1,3-benzodioxol-5-yl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541790
2-[[5-amino-6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]-(cyanomethyl)amino]acetonitrile
CID 22541854
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine (CID 22541866) is 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine is COc1ccc(C)cc1Nc1ncnc(Nc2cccc(C)c2C)c1N.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is VXKNVFMEQAVWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-8-9-17(26-4)16(10-12)25-20-18(21)19(22-11-23-20)24-15-7-5-6-13(2)14(15)3/h5-11H,21H2,1-4H3,(H2,22,23,24,25).
What are the key properties of 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 349.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22541866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).