sodium 2-(4-methoxypyrimidin-2-yl)acetate

C7H7N2NaO3 — CID 23696668

IUPACsodium 2-(4-methoxypyrimidin-2-yl)acetate
SMILESCOc1ccnc(CC(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c1-12-6-2-3-8-5(9-6)4-7(10)11;/h2-3H,4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQROGWSCQWGNVSK-UHFFFAOYSA-M
MW190.13 g/mol
LogP-4.22
Rot. Bonds3

About sodium 2-(4-methoxypyrimidin-2-yl)acetate

sodium 2-(4-methoxypyrimidin-2-yl)acetate (PubChem CID 23696668) has the molecular formula C7H7N2NaO3 and a molecular weight of 190.13 g/mol. Its IUPAC name is sodium 2-(4-methoxypyrimidin-2-yl)acetate.

Molecular Properties

Compound Namesodium 2-(4-methoxypyrimidin-2-yl)acetate
PubChem CID23696668
Molecular FormulaC7H7N2NaO3
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Namesodium 2-(4-methoxypyrimidin-2-yl)acetate
SMILESCOc1ccnc(CC(=O)[O-])n1.[Na+]
InChIInChI=1S/C7H8N2O3.Na/c1-12-6-2-3-8-5(9-6)4-7(10)11;/h2-3H,4H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyQROGWSCQWGNVSK-UHFFFAOYSA-M
XLogP-4.22
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-4.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-methoxypyrimidin-2-yl)acetate?
The IUPAC name of sodium 2-(4-methoxypyrimidin-2-yl)acetate (CID 23696668) is sodium 2-(4-methoxypyrimidin-2-yl)acetate.
What is the SMILES notation for sodium 2-(4-methoxypyrimidin-2-yl)acetate?
The canonical SMILES for sodium 2-(4-methoxypyrimidin-2-yl)acetate is COc1ccnc(CC(=O)[O-])n1.[Na+].
What is the InChIKey of sodium 2-(4-methoxypyrimidin-2-yl)acetate?
The InChIKey is QROGWSCQWGNVSK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O3.Na/c1-12-6-2-3-8-5(9-6)4-7(10)11;/h2-3H,4H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium 2-(4-methoxypyrimidin-2-yl)acetate?
sodium 2-(4-methoxypyrimidin-2-yl)acetate has a molecular weight of 190.13 g/mol, XLogP of -4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-methoxypyrimidin-2-yl)acetate is sourced from PubChem (CID 23696668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).