7-propylpurin-6-amine

C8H11N5 — CID 44572291

IUPAC7-propylpurin-6-amine
SMILESCCCn1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(13)7(9)10-4-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRKILQGBFRKICCA-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.82
Rot. Bonds2

About 7-propylpurin-6-amine

7-propylpurin-6-amine (PubChem CID 44572291) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 7-propylpurin-6-amine.

Molecular Properties

Compound Name7-propylpurin-6-amine
PubChem CID44572291
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name7-propylpurin-6-amine
SMILESCCCn1cnc2ncnc(N)c21
InChIInChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(13)7(9)10-4-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11)
InChIKeyRKILQGBFRKICCA-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 7-propylpurin-6-amine?
The IUPAC name of 7-propylpurin-6-amine (CID 44572291) is 7-propylpurin-6-amine.
What is the SMILES notation for 7-propylpurin-6-amine?
The canonical SMILES for 7-propylpurin-6-amine is CCCn1cnc2ncnc(N)c21.
What is the InChIKey of 7-propylpurin-6-amine?
The InChIKey is RKILQGBFRKICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c1-2-3-13-5-12-8-6(13)7(9)10-4-11-8/h4-5H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 7-propylpurin-6-amine?
7-propylpurin-6-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 7-propylpurin-6-amine is sourced from PubChem (CID 44572291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).