9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine

C16H16N10 — CID 71518533

IUPAC9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3cncnc3)nc(Nc3cncnc3)nc21
InChIInChI=1S/C16H16N10/c1-10(2)26-9-21-13-14(22-11-3-17-7-18-4-11)24-16(25-15(13)26)23-12-5-19-8-20-6-12/h3-10H,1-2H3,(H2,22,23,24,25)
InChIKeyBUKNIOLWHFXEIG-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.47
Rot. Bonds5

About 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine

9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine (PubChem CID 71518533) has the molecular formula C16H16N10 and a molecular weight of 348.37 g/mol. Its IUPAC name is 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine.

Molecular Properties

Compound Name9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
PubChem CID71518533
Molecular FormulaC16H16N10
Molecular Weight348.37 g/mol
Exact Mass348.16
IUPAC Name9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine
SMILESCC(C)n1cnc2c(Nc3cncnc3)nc(Nc3cncnc3)nc21
InChIInChI=1S/C16H16N10/c1-10(2)26-9-21-13-14(22-11-3-17-7-18-4-11)24-16(25-15(13)26)23-12-5-19-8-20-6-12/h3-10H,1-2H3,(H2,22,23,24,25)
InChIKeyBUKNIOLWHFXEIG-UHFFFAOYSA-N
XLogP2.47
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)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 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine?
The IUPAC name of 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine (CID 71518533) is 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine.
What is the SMILES notation for 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine?
The canonical SMILES for 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine is CC(C)n1cnc2c(Nc3cncnc3)nc(Nc3cncnc3)nc21.
What is the InChIKey of 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine?
The InChIKey is BUKNIOLWHFXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N10/c1-10(2)26-9-21-13-14(22-11-3-17-7-18-4-11)24-16(25-15(13)26)23-12-5-19-8-20-6-12/h3-10H,1-2H3,(H2,22,23,24,25).
What are the key properties of 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine?
9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine has a molecular weight of 348.37 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propan-2-yl-2-N,6-N-di(pyrimidin-5-yl)purine-2,6-diamine is sourced from PubChem (CID 71518533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).