5-purin-7-ylpentan-2-one

C10H12N4O — CID 167611303

IUPAC5-purin-7-ylpentan-2-one
SMILESCC(=O)CCCn1cnc2ncncc21
InChIInChI=1S/C10H12N4O/c1-8(15)3-2-4-14-7-13-10-9(14)5-11-6-12-10/h5-7H,2-4H2,1H3
InChIKeyMWLSIVSVQKJMPE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.20
Rot. Bonds4

About 5-purin-7-ylpentan-2-one

5-purin-7-ylpentan-2-one (PubChem CID 167611303) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-purin-7-ylpentan-2-one.

Molecular Properties

Compound Name5-purin-7-ylpentan-2-one
PubChem CID167611303
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name5-purin-7-ylpentan-2-one
SMILESCC(=O)CCCn1cnc2ncncc21
InChIInChI=1S/C10H12N4O/c1-8(15)3-2-4-14-7-13-10-9(14)5-11-6-12-10/h5-7H,2-4H2,1H3
InChIKeyMWLSIVSVQKJMPE-UHFFFAOYSA-N
XLogP1.20
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-purin-7-ylpentan-2-one?
The IUPAC name of 5-purin-7-ylpentan-2-one (CID 167611303) is 5-purin-7-ylpentan-2-one.
What is the SMILES notation for 5-purin-7-ylpentan-2-one?
The canonical SMILES for 5-purin-7-ylpentan-2-one is CC(=O)CCCn1cnc2ncncc21.
What is the InChIKey of 5-purin-7-ylpentan-2-one?
The InChIKey is MWLSIVSVQKJMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-8(15)3-2-4-14-7-13-10-9(14)5-11-6-12-10/h5-7H,2-4H2,1H3.
What are the key properties of 5-purin-7-ylpentan-2-one?
5-purin-7-ylpentan-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-purin-7-ylpentan-2-one is sourced from PubChem (CID 167611303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).