lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate

C5H5LiN2O5 — CID 139189490

IUPAClithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
SMILESO.O=C([O-])c1c[nH]c(=O)[nH]c1=O.[Li+]
InChIInChI=1S/C5H4N2O4.Li.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;;/h1H,(H,9,10)(H2,6,7,8,11);;1H2/q;+1;/p-1
InChIKeyFMOWRGHQUHKVFK-UHFFFAOYSA-M
MW180.04 g/mol
LogP-6.39
Rot. Bonds1

About lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate

lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate (PubChem CID 139189490) has the molecular formula C5H5LiN2O5 and a molecular weight of 180.04 g/mol. Its IUPAC name is lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate.

Molecular Properties

Compound Namelithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
PubChem CID139189490
Molecular FormulaC5H5LiN2O5
Molecular Weight180.04 g/mol
Exact Mass180.04
IUPAC Namelithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
SMILESO.O=C([O-])c1c[nH]c(=O)[nH]c1=O.[Li+]
InChIInChI=1S/C5H4N2O4.Li.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;;/h1H,(H,9,10)(H2,6,7,8,11);;1H2/q;+1;/p-1
InChIKeyFMOWRGHQUHKVFK-UHFFFAOYSA-M
XLogP-6.39
TPSA137.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 5-6.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dioxo-1H-pyrimidine-5-carboxylate;pyridin-1-ium-4-amine;trihydrate
CID 139204657
2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
CID 135171307
2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver
CID 162262036
5-(2,2-dibromoacetyl)-1H-pyrimidine-2,4-dione
CID 102461642
5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
CID 45080865
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
CID 175729684
hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
CID 62675489
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43594238
ethane;5-hydroxy-1H-pyrimidine-2,4-dione
CID 145004805

Frequently Asked Questions

What is the IUPAC name of lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate?
The IUPAC name of lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate (CID 139189490) is lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate.
What is the SMILES notation for lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate?
The canonical SMILES for lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate is O.O=C([O-])c1c[nH]c(=O)[nH]c1=O.[Li+].
What is the InChIKey of lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate?
The InChIKey is FMOWRGHQUHKVFK-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4.Li.H2O/c8-3-2(4(9)10)1-6-5(11)7-3;;/h1H,(H,9,10)(H2,6,7,8,11);;1H2/q;+1;/p-1.
What are the key properties of lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate?
lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate has a molecular weight of 180.04 g/mol, XLogP of -6.39, 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-5-carboxylate;hydrate is sourced from PubChem (CID 139189490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).