6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine

C24H29N7 — CID 46884839

IUPAC6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine
SMILESCc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2ccncc2)nc2ncn(C)c12
InChIInChI=1S/C24H29N7/c1-16-6-7-18(24(2,3)4)14-19(16)28-22-20-21(27-15-31(20)5)29-23(30-22)26-13-10-17-8-11-25-12-9-17/h6-9,11-12,14-15H,10,13H2,1-5H3,(H2,26,28,29,30)
InChIKeyCCZYUUVXXIEIKW-UHFFFAOYSA-N
MW415.55 g/mol
LogP4.76
Rot. Bonds6

About 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine

6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine (PubChem CID 46884839) has the molecular formula C24H29N7 and a molecular weight of 415.55 g/mol. Its IUPAC name is 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine
PubChem CID46884839
Molecular FormulaC24H29N7
Molecular Weight415.55 g/mol
Exact Mass415.25
IUPAC Name6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine
SMILESCc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2ccncc2)nc2ncn(C)c12
InChIInChI=1S/C24H29N7/c1-16-6-7-18(24(2,3)4)14-19(16)28-22-20-21(27-15-31(20)5)29-23(30-22)26-13-10-17-8-11-25-12-9-17/h6-9,11-12,14-15H,10,13H2,1-5H3,(H2,26,28,29,30)
InChIKeyCCZYUUVXXIEIKW-UHFFFAOYSA-N
XLogP4.76
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.55
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)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

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine?
The IUPAC name of 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine (CID 46884839) is 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine.
What is the SMILES notation for 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine?
The canonical SMILES for 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine is Cc1ccc(C(C)(C)C)cc1Nc1nc(NCCc2ccncc2)nc2ncn(C)c12.
What is the InChIKey of 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine?
The InChIKey is CCZYUUVXXIEIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7/c1-16-6-7-18(24(2,3)4)14-19(16)28-22-20-21(27-15-31(20)5)29-23(30-22)26-13-10-17-8-11-25-12-9-17/h6-9,11-12,14-15H,10,13H2,1-5H3,(H2,26,28,29,30).
What are the key properties of 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine?
6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine has a molecular weight of 415.55 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-tert-butyl-2-methylphenyl)-7-methyl-2-N-(2-pyridin-4-ylethyl)purine-2,6-diamine is sourced from PubChem (CID 46884839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).