9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine

C13H16N8 — CID 23503442

IUPAC9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)Cn1c(-c2ncccn2)nc2c(N)nc(N)nc21
InChIInChI=1S/C13H16N8/c1-7(2)6-21-11-8(9(14)19-13(15)20-11)18-12(21)10-16-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H4,14,15,19,20)
InChIKeyCIWGZGBTHZBDGP-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.10
Rot. Bonds3

About 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine

9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine (PubChem CID 23503442) has the molecular formula C13H16N8 and a molecular weight of 284.33 g/mol. Its IUPAC name is 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine
PubChem CID23503442
Molecular FormulaC13H16N8
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Name9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine
SMILESCC(C)Cn1c(-c2ncccn2)nc2c(N)nc(N)nc21
InChIInChI=1S/C13H16N8/c1-7(2)6-21-11-8(9(14)19-13(15)20-11)18-12(21)10-16-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H4,14,15,19,20)
InChIKeyCIWGZGBTHZBDGP-UHFFFAOYSA-N
XLogP1.10
TPSA121.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-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 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine?
The IUPAC name of 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine (CID 23503442) is 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine.
What is the SMILES notation for 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine?
The canonical SMILES for 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine is CC(C)Cn1c(-c2ncccn2)nc2c(N)nc(N)nc21.
What is the InChIKey of 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine?
The InChIKey is CIWGZGBTHZBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8/c1-7(2)6-21-11-8(9(14)19-13(15)20-11)18-12(21)10-16-4-3-5-17-10/h3-5,7H,6H2,1-2H3,(H4,14,15,19,20).
What are the key properties of 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine?
9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine has a molecular weight of 284.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methylpropyl)-8-pyrimidin-2-ylpurine-2,6-diamine is sourced from PubChem (CID 23503442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).