6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

C17H25N7 — CID 19143129

IUPAC6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NN3CCN(C)CC3)c2N)c1C
InChIInChI=1S/C17H25N7/c1-12-5-4-6-14(13(12)2)21-16-15(18)17(20-11-19-16)22-24-9-7-23(3)8-10-24/h4-6,11H,7-10,18H2,1-3H3,(H2,19,20,21,22)
InChIKeyZQWZXILFNSYECD-UHFFFAOYSA-N
MW327.44 g/mol
LogP1.99
Rot. Bonds4

About 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine

6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (PubChem CID 19143129) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
PubChem CID19143129
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(NN3CCN(C)CC3)c2N)c1C
InChIInChI=1S/C17H25N7/c1-12-5-4-6-14(13(12)2)21-16-15(18)17(20-11-19-16)22-24-9-7-23(3)8-10-24/h4-6,11H,7-10,18H2,1-3H3,(H2,19,20,21,22)
InChIKeyZQWZXILFNSYECD-UHFFFAOYSA-N
XLogP1.99
TPSA82.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine (CID 19143129) is 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(NN3CCN(C)CC3)c2N)c1C.
What is the InChIKey of 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
The InChIKey is ZQWZXILFNSYECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-12-5-4-6-14(13(12)2)21-16-15(18)17(20-11-19-16)22-24-9-7-23(3)8-10-24/h4-6,11H,7-10,18H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine?
6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine has a molecular weight of 327.44 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,3-dimethylphenyl)-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).