sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane

C9H13N2NaO2 — CID 144874588

IUPACsodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
SMILESCC.Cc1ncnc(C)c1C(=O)[O-].[Na+]
InChIInChI=1S/C7H8N2O2.C2H6.Na/c1-4-6(7(10)11)5(2)9-3-8-4;1-2;/h3H,1-2H3,(H,10,11);1-2H3;/q;;+1/p-1
InChIKeyFPACVFGATBEJRA-UHFFFAOYSA-M
MW204.20 g/mol
LogP-2.51
Rot. Bonds1

About sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane

sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane (PubChem CID 144874588) has the molecular formula C9H13N2NaO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane.

Molecular Properties

Compound Namesodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
PubChem CID144874588
Molecular FormulaC9H13N2NaO2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Namesodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
SMILESCC.Cc1ncnc(C)c1C(=O)[O-].[Na+]
InChIInChI=1S/C7H8N2O2.C2H6.Na/c1-4-6(7(10)11)5(2)9-3-8-4;1-2;/h3H,1-2H3,(H,10,11);1-2H3;/q;;+1/p-1
InChIKeyFPACVFGATBEJRA-UHFFFAOYSA-M
XLogP-2.51
TPSA65.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 5-2.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylpyrimidine-4,5-dicarboxylic acid
CID 90696614
4-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 58781566
bis(iron(3+));tris(2,3,5,6-tetramethylterephthalate)
CID 160653230
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
4,6-dimethyl-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 110848394
methyl 4-ethyl-6-methylpyrimidine-5-carboxylate
CID 58781568
N-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 110864249
2-(4,6-dimethylpyrimidin-5-yl)acetamide
CID 130683923
gallium tris(2,4,6-trimethylbenzoate)
CID 22604109
cadmium(2+);bis(2,3,5,6-tetramethylbenzoate)
CID 22604739
2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid
CID 18410274
5-amino-3-methyl-1,2-thiazole-4-carboxylate
CID 2465960

Frequently Asked Questions

What is the IUPAC name of sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane?
The IUPAC name of sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane (CID 144874588) is sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane.
What is the SMILES notation for sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane?
The canonical SMILES for sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane is CC.Cc1ncnc(C)c1C(=O)[O-].[Na+].
What is the InChIKey of sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane?
The InChIKey is FPACVFGATBEJRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O2.C2H6.Na/c1-4-6(7(10)11)5(2)9-3-8-4;1-2;/h3H,1-2H3,(H,10,11);1-2H3;/q;;+1/p-1.
What are the key properties of sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane?
sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane has a molecular weight of 204.20 g/mol, XLogP of -2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane is sourced from PubChem (CID 144874588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).