6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione

C8H12N2O3 — CID 174340900

IUPAC6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CCCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c11-4-2-1-3-6-5-7(12)10-8(13)9-6/h5,11H,1-4H2,(H2,9,10,12,13)
InChIKeyCMWCKYOSKXKZCA-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.62
Rot. Bonds4

About 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione

6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione (PubChem CID 174340900) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione
PubChem CID174340900
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CCCCO)[nH]c(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c11-4-2-1-3-6-5-7(12)10-8(13)9-6/h5,11H,1-4H2,(H2,9,10,12,13)
InChIKeyCMWCKYOSKXKZCA-UHFFFAOYSA-N
XLogP-0.62
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.62
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-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione (CID 174340900) is 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione is O=c1cc(CCCCO)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione?
The InChIKey is CMWCKYOSKXKZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-2-1-3-6-5-7(12)10-8(13)9-6/h5,11H,1-4H2,(H2,9,10,12,13).
What are the key properties of 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione?
6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione has a molecular weight of 184.19 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxybutyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174340900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).