4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one

C9H16N4O2 — CID 46891066

IUPAC4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one
SMILESNCCCCCNc1ccn(O)c(=O)n1
InChIInChI=1S/C9H16N4O2/c10-5-2-1-3-6-11-8-4-7-13(15)9(14)12-8/h4,7,15H,1-3,5-6,10H2,(H,11,12,14)
InChIKeyZAPMQYOCCLDIJN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.02
Rot. Bonds6

About 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one

4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one (PubChem CID 46891066) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one.

Molecular Properties

Compound Name4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one
PubChem CID46891066
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one
SMILESNCCCCCNc1ccn(O)c(=O)n1
InChIInChI=1S/C9H16N4O2/c10-5-2-1-3-6-11-8-4-7-13(15)9(14)12-8/h4,7,15H,1-3,5-6,10H2,(H,11,12,14)
InChIKeyZAPMQYOCCLDIJN-UHFFFAOYSA-N
XLogP0.02
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one?
The IUPAC name of 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one (CID 46891066) is 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one.
What is the SMILES notation for 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one?
The canonical SMILES for 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one is NCCCCCNc1ccn(O)c(=O)n1.
What is the InChIKey of 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one?
The InChIKey is ZAPMQYOCCLDIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-5-2-1-3-6-11-8-4-7-13(15)9(14)12-8/h4,7,15H,1-3,5-6,10H2,(H,11,12,14).
What are the key properties of 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one?
4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one has a molecular weight of 212.25 g/mol, XLogP of 0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-aminopentylamino)-1-hydroxypyrimidin-2-one is sourced from PubChem (CID 46891066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).