disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate

C8H6N2Na2O6 — CID 158367585

IUPACdisodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate
SMILESO=C([O-])Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H8N2O6.2Na/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15;;/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16);;/q;2*+1/p-2
InChIKeyGUFIHCMXOLKPAP-UHFFFAOYSA-L
MW272.12 g/mol
LogP-10.34
Rot. Bonds4

About disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate

disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate (PubChem CID 158367585) has the molecular formula C8H6N2Na2O6 and a molecular weight of 272.12 g/mol. Its IUPAC name is disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate.

Molecular Properties

Compound Namedisodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate
PubChem CID158367585
Molecular FormulaC8H6N2Na2O6
Molecular Weight272.12 g/mol
Exact Mass272.00
IUPAC Namedisodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate
SMILESO=C([O-])Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H8N2O6.2Na/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15;;/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16);;/q;2*+1/p-2
InChIKeyGUFIHCMXOLKPAP-UHFFFAOYSA-L
XLogP-10.34
TPSA145.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.12
LogP ≤ 5-10.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate?
The IUPAC name of disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate (CID 158367585) is disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate.
What is the SMILES notation for disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate?
The canonical SMILES for disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate is O=C([O-])Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate?
The InChIKey is GUFIHCMXOLKPAP-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8N2O6.2Na/c11-5(12)1-3-4(2-6(13)14)9-8(16)10-7(3)15;;/h1-2H2,(H,11,12)(H,13,14)(H2,9,10,15,16);;/q;2*+1/p-2.
What are the key properties of disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate?
disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate has a molecular weight of 272.12 g/mol, XLogP of -10.34, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[6-(carboxylatomethyl)-2,4-dioxo-1H-pyrimidin-5-yl]acetate is sourced from PubChem (CID 158367585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).