9-propylpurin-2-amine

C8H11N5 — CID 58755499

IUPAC9-propylpurin-2-amine
SMILESCCCn1cnc2cnc(N)nc21
InChIInChI=1S/C8H11N5/c1-2-3-13-5-11-6-4-10-8(9)12-7(6)13/h4-5H,2-3H2,1H3,(H2,9,10,12)
InChIKeyVTUDGQKMHBBILI-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.82
Rot. Bonds2

About 9-propylpurin-2-amine

9-propylpurin-2-amine (PubChem CID 58755499) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 9-propylpurin-2-amine.

Molecular Properties

Compound Name9-propylpurin-2-amine
PubChem CID58755499
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name9-propylpurin-2-amine
SMILESCCCn1cnc2cnc(N)nc21
InChIInChI=1S/C8H11N5/c1-2-3-13-5-11-6-4-10-8(9)12-7(6)13/h4-5H,2-3H2,1H3,(H2,9,10,12)
InChIKeyVTUDGQKMHBBILI-UHFFFAOYSA-N
XLogP0.82
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-propylpurin-2-amine?
The IUPAC name of 9-propylpurin-2-amine (CID 58755499) is 9-propylpurin-2-amine.
What is the SMILES notation for 9-propylpurin-2-amine?
The canonical SMILES for 9-propylpurin-2-amine is CCCn1cnc2cnc(N)nc21.
What is the InChIKey of 9-propylpurin-2-amine?
The InChIKey is VTUDGQKMHBBILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-3-13-5-11-6-4-10-8(9)12-7(6)13/h4-5H,2-3H2,1H3,(H2,9,10,12).
What are the key properties of 9-propylpurin-2-amine?
9-propylpurin-2-amine has a molecular weight of 177.21 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-propylpurin-2-amine is sourced from PubChem (CID 58755499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).