6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione

C12H20N2O3 — CID 54095227

IUPAC6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-8-9-10(15)13-12(17)14-11(9)16/h2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyMWQMDAHZGDLSLM-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.67
Rot. Bonds7

About 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione

6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione (PubChem CID 54095227) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione
PubChem CID54095227
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione
SMILESCCCCCCCCc1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-8-9-10(15)13-12(17)14-11(9)16/h2-8H2,1H3,(H3,13,14,15,16,17)
InChIKeyMWQMDAHZGDLSLM-UHFFFAOYSA-N
XLogP1.67
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione (CID 54095227) is 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione is CCCCCCCCc1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione?
The InChIKey is MWQMDAHZGDLSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-2-3-4-5-6-7-8-9-10(15)13-12(17)14-11(9)16/h2-8H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54095227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).