4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

C24H24N6 — CID 19143230

IUPAC4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N(Cc3ccccc3)c3ccccn3)c2N)c1C
InChIInChI=1S/C24H24N6/c1-17-9-8-12-20(18(17)2)29-23-22(25)24(28-16-27-23)30(21-13-6-7-14-26-21)15-19-10-4-3-5-11-19/h3-14,16H,15,25H2,1-2H3,(H,27,28,29)
InChIKeyPANVGLRPZLLGCX-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.15
Rot. Bonds6

About 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine

4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (PubChem CID 19143230) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
PubChem CID19143230
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(N(Cc3ccccc3)c3ccccn3)c2N)c1C
InChIInChI=1S/C24H24N6/c1-17-9-8-12-20(18(17)2)29-23-22(25)24(28-16-27-23)30(21-13-6-7-14-26-21)15-19-10-4-3-5-11-19/h3-14,16H,15,25H2,1-2H3,(H,27,28,29)
InChIKeyPANVGLRPZLLGCX-UHFFFAOYSA-N
XLogP5.15
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-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-benzyl-6-N-(4-chloro-2-methylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 22546509
4-N-benzyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150031
4-N-benzyl-6-N-(4-fluorophenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19149049
4-N-benzyl-6-N-(2-methoxyethyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150486
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
4-N-benzyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19150124
4-N-benzyl-6-N,6-N-diethyl-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19136839
4-N-benzyl-6-N-[(4-fluorophenyl)methyl]-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine
CID 19153504
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 19152191
4-N-benzyl-6-(4-methylphenyl)sulfanyl-4-N-pyridin-2-ylpyrimidine-4,5-diamine
CID 19149937
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
N'-[5-amino-6-[benzyl(pyridin-2-yl)amino]pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19151321

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine (CID 19143230) is 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(N(Cc3ccccc3)c3ccccn3)c2N)c1C.
What is the InChIKey of 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
The InChIKey is PANVGLRPZLLGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-17-9-8-12-20(18(17)2)29-23-22(25)24(28-16-27-23)30(21-13-6-7-14-26-21)15-19-10-4-3-5-11-19/h3-14,16H,15,25H2,1-2H3,(H,27,28,29).
What are the key properties of 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine?
4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine has a molecular weight of 396.50 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-N-(2,3-dimethylphenyl)-4-N-pyridin-2-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).