2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine

C14H16N6 — CID 114783532

IUPAC2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(C)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-3-15-14-19-12-11(16-8-17-12)13(20-14)18-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyPYAQHMNXOGLJNV-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.84
Rot. Bonds4

About 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine

2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine (PubChem CID 114783532) has the molecular formula C14H16N6 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
PubChem CID114783532
Molecular FormulaC14H16N6
Molecular Weight268.32 g/mol
Exact Mass268.14
IUPAC Name2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine
SMILESCCNc1nc(Nc2ccc(C)cc2)c2[nH]cnc2n1
InChIInChI=1S/C14H16N6/c1-3-15-14-19-12-11(16-8-17-12)13(20-14)18-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20)
InChIKeyPYAQHMNXOGLJNV-UHFFFAOYSA-N
XLogP2.84
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-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

2-N-ethyl-6-N-(4-fluorophenyl)-7H-purine-2,6-diamine
CID 114783490
2-N-ethyl-6-N-(4-iodophenyl)-7H-purine-2,6-diamine
CID 114783435
2-N-ethyl-6-N-(4-ethylphenyl)-7H-purine-2,6-diamine
CID 114783510
2-N-ethyl-6-N-(2-fluoro-5-methylphenyl)-7H-purine-2,6-diamine
CID 114783352
2-N-ethyl-6-N-(3-iodophenyl)-7H-purine-2,6-diamine
CID 114783438
2-N-ethyl-6-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 114785632
6-N-(3-bromo-2-methylphenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 107638678
6-N-(2-chloro-4-fluorophenyl)-2-N-ethyl-7H-purine-2,6-diamine
CID 114783285
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
2-N-ethyl-6-N-(2-ethylbutyl)-7H-purine-2,6-diamine
CID 114786528
2-N-ethyl-6-N-[(2-methylpyrimidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114784815
2-N-ethyl-6-N-(2-methylpentan-2-yl)-7H-purine-2,6-diamine
CID 114786320

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine (CID 114783532) is 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine is CCNc1nc(Nc2ccc(C)cc2)c2[nH]cnc2n1.
What is the InChIKey of 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine?
The InChIKey is PYAQHMNXOGLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6/c1-3-15-14-19-12-11(16-8-17-12)13(20-14)18-10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H3,15,16,17,18,19,20).
What are the key properties of 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine?
2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-(4-methylphenyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 114783532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).