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

C8H10N2O4 — CID 658361

IUPAC5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-4(11)5-6(12)9-8(14)10-7(5)13/h2-3H2,1H3,(H3,9,10,12,13,14)
InChIKeyCIXSOKRTNZAVCC-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.25
Rot. Bonds3

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

5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 658361) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID658361
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESCCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-3-4(11)5-6(12)9-8(14)10-7(5)13/h2-3H2,1H3,(H3,9,10,12,13,14)
InChIKeyCIXSOKRTNZAVCC-UHFFFAOYSA-N
XLogP-0.25
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-hydroxy-1,3-dimethyl-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 885401
5-(1-Hydroxyethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1391800
5-(1-Hydroxybutylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 5152348
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
Trimethylammonium 2,6-dioxo-5-propionyl-1,2,3,6-tetrahydropyrimidin-4-olate
CID 44661571
N,N-dimethylmethanamine;6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 137209076
5-butyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 21240653
6-hydroxy-5-propyl-1H-pyrimidine-2,4-dione
CID 53727410
6-hydroxy-5-pentan-2-yl-1H-pyrimidine-2,4-dione
CID 54086591
6-hydroxy-5-octyl-1H-pyrimidine-2,4-dione
CID 54095227
5-decyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 54325422
6-hydroxy-5-pentyl-1H-pyrimidine-2,4-dione
CID 54470491

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione (CID 658361) is 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione is CCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is CIXSOKRTNZAVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-3-4(11)5-6(12)9-8(14)10-7(5)13/h2-3H2,1H3,(H3,9,10,12,13,14).
What are the key properties of 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione?
5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 198.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 658361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).