2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine

C19H19N7 — CID 155058890

IUPAC2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
SMILESCC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H19N7/c1-13(2)26-17-16(24-19(26)23-15-9-6-10-20-11-15)12-21-18(25-17)22-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,23,24)(H,21,22,25)
InChIKeySUAQXMSSVVFJNR-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.29
Rot. Bonds5

About 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine

2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine (PubChem CID 155058890) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine.

Molecular Properties

Compound Name2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
PubChem CID155058890
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Name2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine
SMILESCC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C19H19N7/c1-13(2)26-17-16(24-19(26)23-15-9-6-10-20-11-15)12-21-18(25-17)22-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,23,24)(H,21,22,25)
InChIKeySUAQXMSSVVFJNR-UHFFFAOYSA-N
XLogP4.29
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-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 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine?
The IUPAC name of 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine (CID 155058890) is 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine.
What is the SMILES notation for 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine?
The canonical SMILES for 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine is CC(C)n1c(Nc2cccnc2)nc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine?
The InChIKey is SUAQXMSSVVFJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-13(2)26-17-16(24-19(26)23-15-9-6-10-20-11-15)12-21-18(25-17)22-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,23,24)(H,21,22,25).
What are the key properties of 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine?
2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine has a molecular weight of 345.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-phenyl-9-propan-2-yl-8-N-pyridin-3-ylpurine-2,8-diamine is sourced from PubChem (CID 155058890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).