3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione

C9H14N2O3 — CID 107103893

IUPAC3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCCCO
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-8(13)4-5-10-9(11)14/h4-5,12H,1-3,6-7H2,(H,10,14)
InChIKeyCCNAKCFBEFDKHJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.30
Rot. Bonds5

About 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione

3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione (PubChem CID 107103893) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
PubChem CID107103893
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCCCO
InChIInChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-8(13)4-5-10-9(11)14/h4-5,12H,1-3,6-7H2,(H,10,14)
InChIKeyCCNAKCFBEFDKHJ-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 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione (CID 107103893) is 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CCCCCO.
What is the InChIKey of 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CCNAKCFBEFDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-7-3-1-2-6-11-8(13)4-5-10-9(11)14/h4-5,12H,1-3,6-7H2,(H,10,14).
What are the key properties of 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione?
3-(5-hydroxypentyl)-1H-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 3-(5-hydroxypentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107103893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).