4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid

C5H6N2O4 — CID 138593203

IUPAC4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESO=C1NC(C(=O)O)=CC(O)N1
InChIInChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,3,8H,(H,9,10)(H2,6,7,11)
InChIKeyMHOROZDHPCDPNF-UHFFFAOYSA-N
MW158.11 g/mol
LogP-1.41
Rot. Bonds1

About 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid

4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid (PubChem CID 138593203) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
PubChem CID138593203
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Name4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid
SMILESO=C1NC(C(=O)O)=CC(O)N1
InChIInChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,3,8H,(H,9,10)(H2,6,7,11)
InChIKeyMHOROZDHPCDPNF-UHFFFAOYSA-N
XLogP-1.41
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid (CID 138593203) is 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid is O=C1NC(C(=O)O)=CC(O)N1.
What is the InChIKey of 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
The InChIKey is MHOROZDHPCDPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1,3,8H,(H,9,10)(H2,6,7,11).
What are the key properties of 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid?
4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid has a molecular weight of 158.11 g/mol, XLogP of -1.41, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 138593203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).