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

C7H8N2O4 — CID 1385843

IUPAC6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13)
InChIKeyCWBDTZPCSXGXHD-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.64
Rot. Bonds2

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

6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione (PubChem CID 1385843) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
PubChem CID1385843
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13)
InChIKeyCWBDTZPCSXGXHD-UHFFFAOYSA-N
XLogP-0.64
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 658361
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-Ethyl-6-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 12598279
6-hydroxy-5-(2-methylpropyl)-1H-pyrimidine-2,4-dione
CID 28630681
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
6-amino-5-propylpyrimidine-2,4(1H,3H)-dione
CID 816905
5-Acetyl-6-hydroxy-1-methylpyrimidine-2,4-dione
CID 16475611
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-(3-iodo-2-oxopropyl)-1H-pyrimidine-2,4-dione
CID 53894004

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione (CID 1385843) is 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione is CCC(=O)c1c(O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
The InChIKey is CWBDTZPCSXGXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-2-3(10)4-5(11)8-7(13)9-6(4)12/h2H2,1H3,(H3,8,9,11,12,13).
What are the key properties of 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione?
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione has a molecular weight of 184.15 g/mol, XLogP of -0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 1385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).