disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate

C8H6N2Na2O4 — CID 141080990

IUPACdisodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate
SMILESO=C([O-])Cc1ccnc(CC(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C8H8N2O4.2Na/c11-7(12)3-5-1-2-9-6(10-5)4-8(13)14;;/h1-2H,3-4H2,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyFUNFSNCHGHAFOY-UHFFFAOYSA-L
MW240.13 g/mol
LogP-8.93
Rot. Bonds4

About disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate

disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate (PubChem CID 141080990) has the molecular formula C8H6N2Na2O4 and a molecular weight of 240.13 g/mol. Its IUPAC name is disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate.

Molecular Properties

Compound Namedisodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate
PubChem CID141080990
Molecular FormulaC8H6N2Na2O4
Molecular Weight240.13 g/mol
Exact Mass240.01
IUPAC Namedisodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate
SMILESO=C([O-])Cc1ccnc(CC(=O)[O-])n1.[Na+].[Na+]
InChIInChI=1S/C8H8N2O4.2Na/c11-7(12)3-5-1-2-9-6(10-5)4-8(13)14;;/h1-2H,3-4H2,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyFUNFSNCHGHAFOY-UHFFFAOYSA-L
XLogP-8.93
TPSA106.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 5-8.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
sodium 2-(5-bromopyrimidin-2-yl)acetate
CID 127264214
2-(1,2-thiazol-3-yl)acetate
CID 22119909
2-[4-(difluoromethyl)pyrimidin-2-yl]acetic acid
CID 84661261
sodium 2-[6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 131676455
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
sodium 2-(2-phenyl-1,3-thiazol-4-yl)acetate
CID 4671727
lithium 2-(1,3-oxazol-2-yl)acetate
CID 146049724
2,4-dibenzylpyrimidine
CID 59375877
disodium;2-(2-oxidophenyl)acetate
CID 14326222
[4-(chloromethyl)pyrimidin-2-yl]methanesulfinate
CID 175258340

Frequently Asked Questions

What is the IUPAC name of disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate?
The IUPAC name of disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate (CID 141080990) is disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate.
What is the SMILES notation for disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate?
The canonical SMILES for disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate is O=C([O-])Cc1ccnc(CC(=O)[O-])n1.[Na+].[Na+].
What is the InChIKey of disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate?
The InChIKey is FUNFSNCHGHAFOY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H8N2O4.2Na/c11-7(12)3-5-1-2-9-6(10-5)4-8(13)14;;/h1-2H,3-4H2,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate?
disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate has a molecular weight of 240.13 g/mol, XLogP of -8.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate is sourced from PubChem (CID 141080990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).