2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid

C8H10N2O6 — CID 68985786

IUPAC2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C3H6O2/c8-3-1-2(4(9)10)6-5(11)7-3;1-2-3(4)5/h1H,(H,9,10)(H2,6,7,8,11);2H2,1H3,(H,4,5)
InChIKeyCLEIBIKJSCKFCB-UHFFFAOYSA-N
MW230.18 g/mol
LogP-0.76
Rot. Bonds2

About 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid

2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid (PubChem CID 68985786) has the molecular formula C8H10N2O6 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid
PubChem CID68985786
Molecular FormulaC8H10N2O6
Molecular Weight230.18 g/mol
Exact Mass230.05
IUPAC Name2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid
SMILESCCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C3H6O2/c8-3-1-2(4(9)10)6-5(11)7-3;1-2-3(4)5/h1H,(H,9,10)(H2,6,7,8,11);2H2,1H3,(H,4,5)
InChIKeyCLEIBIKJSCKFCB-UHFFFAOYSA-N
XLogP-0.76
TPSA140.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid (CID 68985786) is 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid is CCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid?
The InChIKey is CLEIBIKJSCKFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C3H6O2/c8-3-1-2(4(9)10)6-5(11)7-3;1-2-3(4)5/h1H,(H,9,10)(H2,6,7,8,11);2H2,1H3,(H,4,5).
What are the key properties of 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid?
2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid has a molecular weight of 230.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-6-carboxylic acid;propanoic acid is sourced from PubChem (CID 68985786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).