lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate

C5H3LiN2O4 — CID 23686432

IUPAClithium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Li+]
InChIInChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeyIZJGDPULXXNWJP-UHFFFAOYSA-M
MW162.03 g/mol
LogP-5.57
Rot. Bonds1

About lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate

lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23686432) has the molecular formula C5H3LiN2O4 and a molecular weight of 162.03 g/mol. Its IUPAC name is lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namelithium 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23686432
Molecular FormulaC5H3LiN2O4
Molecular Weight162.03 g/mol
Exact Mass162.03
IUPAC Namelithium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Li+]
InChIInChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeyIZJGDPULXXNWJP-UHFFFAOYSA-M
XLogP-5.57
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.03
LogP ≤ 5-5.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Orotic Acid
CID 967
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, hydrate (1:1)
CID 16218504
4-Pyrimidinecarboxylic acid, 1,2,3,6-tetrahydro-2,6-dioxo-, ion(1-)
CID 1492348
Magnesium Orotate
CID 3036905
Potassium Orotate
CID 23665705
Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
CID 80257
Zinc Orotate
CID 108934
Sodium Orotate
CID 23683036
Zinc orotate dihydrate
CID 46942247
Calcium orotate
CID 89722
Ferrous Orotate
CID 55317
2,4-dioxo-1H-pyrimidine-6-carboxylate;zinc
CID 21118449

Frequently Asked Questions

What is the IUPAC name of lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23686432) is lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Li+].
What is the InChIKey of lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is IZJGDPULXXNWJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4.Li/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1.
What are the key properties of lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 162.03 g/mol, XLogP of -5.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23686432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).