sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate

C6H5N2NaO4 — CID 139627493

IUPACsodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1cn(C(=O)[O-])c(=O)[nH]c1=O.[Na+]
InChIInChI=1S/C6H6N2O4.Na/c1-3-2-8(6(11)12)5(10)7-4(3)9;/h2H,1H3,(H,11,12)(H,7,9,10);/q;+1/p-1
InChIKeyHHVQCDDYMLIHNY-UHFFFAOYSA-M
MW192.11 g/mol
LogP-4.96
Rot. Bonds

About sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate

sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate (PubChem CID 139627493) has the molecular formula C6H5N2NaO4 and a molecular weight of 192.11 g/mol. Its IUPAC name is sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate.

Molecular Properties

Compound Namesodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
PubChem CID139627493
Molecular FormulaC6H5N2NaO4
Molecular Weight192.11 g/mol
Exact Mass192.01
IUPAC Namesodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate
SMILESCc1cn(C(=O)[O-])c(=O)[nH]c1=O.[Na+]
InChIInChI=1S/C6H6N2O4.Na/c1-3-2-8(6(11)12)5(10)7-4(3)9;/h2H,1H3,(H,11,12)(H,7,9,10);/q;+1/p-1
InChIKeyHHVQCDDYMLIHNY-UHFFFAOYSA-M
XLogP-4.96
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.11
LogP ≤ 5-4.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate
CID 155124412
1-(6-bromohexanoyl)-5-methylpyrimidine-2,4-dione
CID 125478927
1-(cyclohexene-1-carbonyl)-5-methylpyrimidine-2,4-dione
CID 70910079
(5-methyl-2,4-dioxopyrimidin-1-yl) nitrate
CID 142715788
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-hydroxy-5-methylpyrimidine-2,4-dione;phenol
CID 141292603
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
5-methyl-1-[2-(5-methylthiophen-2-yl)-2-oxoethyl]pyrimidine-2,4-dione
CID 60734826
(2S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-carboxylic acid
CID 70367258
5-methyl-1-propan-2-yliodanuidylpyrimidine-2,4-dione
CID 163432716

Frequently Asked Questions

What is the IUPAC name of sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The IUPAC name of sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate (CID 139627493) is sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate.
What is the SMILES notation for sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The canonical SMILES for sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate is Cc1cn(C(=O)[O-])c(=O)[nH]c1=O.[Na+].
What is the InChIKey of sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
The InChIKey is HHVQCDDYMLIHNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6N2O4.Na/c1-3-2-8(6(11)12)5(10)7-4(3)9;/h2H,1H3,(H,11,12)(H,7,9,10);/q;+1/p-1.
What are the key properties of sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate?
sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate has a molecular weight of 192.11 g/mol, XLogP of -4.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-methyl-2,4-dioxopyrimidine-1-carboxylate is sourced from PubChem (CID 139627493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).