1-(5-hydroxypentyl)pyrimidine-2,4-dione

C9H14N2O3 — CID 11521261

IUPAC1-(5-hydroxypentyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCCCO)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-5-11-6-4-8(13)10-9(11)14/h4,6,12H,1-3,5,7H2,(H,10,13,14)
InChIKeyBOOPRVFORVJUMY-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.30
Rot. Bonds5

About 1-(5-hydroxypentyl)pyrimidine-2,4-dione

1-(5-hydroxypentyl)pyrimidine-2,4-dione (PubChem CID 11521261) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyrimidine-2,4-dione
PubChem CID11521261
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(5-hydroxypentyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCCCO)c(=O)[nH]1
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-5-11-6-4-8(13)10-9(11)14/h4,6,12H,1-3,5,7H2,(H,10,13,14)
InChIKeyBOOPRVFORVJUMY-UHFFFAOYSA-N
XLogP-0.30
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(5-hydroxypentyl)pyrimidine-2,4-dione (CID 11521261) is 1-(5-hydroxypentyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(5-hydroxypentyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(5-hydroxypentyl)pyrimidine-2,4-dione is O=c1ccn(CCCCCO)c(=O)[nH]1.
What is the InChIKey of 1-(5-hydroxypentyl)pyrimidine-2,4-dione?
The InChIKey is BOOPRVFORVJUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-3-1-2-5-11-6-4-8(13)10-9(11)14/h4,6,12H,1-3,5,7H2,(H,10,13,14).
What are the key properties of 1-(5-hydroxypentyl)pyrimidine-2,4-dione?
1-(5-hydroxypentyl)pyrimidine-2,4-dione has a molecular weight of 198.22 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11521261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).