4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one

C8H14N4O2 — CID 46891065

IUPAC4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one
SMILESNCCCCNc1ccn(O)c(=O)n1
InChIInChI=1S/C8H14N4O2/c9-4-1-2-5-10-7-3-6-12(14)8(13)11-7/h3,6,14H,1-2,4-5,9H2,(H,10,11,13)
InChIKeyNBVVLRJKURZELV-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.37
Rot. Bonds5

About 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one

4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one (PubChem CID 46891065) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one.

Molecular Properties

Compound Name4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one
PubChem CID46891065
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one
SMILESNCCCCNc1ccn(O)c(=O)n1
InChIInChI=1S/C8H14N4O2/c9-4-1-2-5-10-7-3-6-12(14)8(13)11-7/h3,6,14H,1-2,4-5,9H2,(H,10,11,13)
InChIKeyNBVVLRJKURZELV-UHFFFAOYSA-N
XLogP-0.37
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.37
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-(4-aminobutylamino)-1-hydroxypyrimidin-2-one?
The IUPAC name of 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one (CID 46891065) is 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one.
What is the SMILES notation for 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one?
The canonical SMILES for 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one is NCCCCNc1ccn(O)c(=O)n1.
What is the InChIKey of 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one?
The InChIKey is NBVVLRJKURZELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c9-4-1-2-5-10-7-3-6-12(14)8(13)11-7/h3,6,14H,1-2,4-5,9H2,(H,10,11,13).
What are the key properties of 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one?
4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one has a molecular weight of 198.23 g/mol, XLogP of -0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutylamino)-1-hydroxypyrimidin-2-one is sourced from PubChem (CID 46891065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).