6-methylpyrimidine-4,5-dicarboxylic acid

C7H6N2O4 — CID 90696614

IUPAC6-methylpyrimidine-4,5-dicarboxylic acid
SMILESCc1ncnc(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H6N2O4/c1-3-4(6(10)11)5(7(12)13)9-2-8-3/h2H,1H3,(H,10,11)(H,12,13)
InChIKeyDXPHTYKFCDOUPE-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.18
Rot. Bonds2

About 6-methylpyrimidine-4,5-dicarboxylic acid

6-methylpyrimidine-4,5-dicarboxylic acid (PubChem CID 90696614) has the molecular formula C7H6N2O4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 6-methylpyrimidine-4,5-dicarboxylic acid.

Molecular Properties

Compound Name6-methylpyrimidine-4,5-dicarboxylic acid
PubChem CID90696614
Molecular FormulaC7H6N2O4
Molecular Weight182.13 g/mol
Exact Mass182.03
IUPAC Name6-methylpyrimidine-4,5-dicarboxylic acid
SMILESCc1ncnc(C(=O)O)c1C(=O)O
InChIInChI=1S/C7H6N2O4/c1-3-4(6(10)11)5(7(12)13)9-2-8-3/h2H,1H3,(H,10,11)(H,12,13)
InChIKeyDXPHTYKFCDOUPE-UHFFFAOYSA-N
XLogP0.18
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 58781566
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
6-methyl-1,2,4-triazine-5-carboxylic acid
CID 83635324
4,5-dimethylpyridine-2,3-dicarboxylic acid
CID 53487983
4-(2,4-difluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82297355
sodium;4,6-dimethylpyrimidine-5-carboxylate;ethane
CID 144874588
4-methyl-6-pyridin-2-ylpyrimidine-5-carboxylic acid
CID 82471218
4-(3,4-dimethylphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82293374
6-acetamido-5-fluoropyrimidine-4-carboxylic acid
CID 167727873
4-(3,4-dimethoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 82306772
4,5,6-trimethylpyridine-2,3-dicarboxylic acid
CID 23469808
quinazoline-4,5,7,8-tetracarboxylic acid
CID 139964547

Frequently Asked Questions

What is the IUPAC name of 6-methylpyrimidine-4,5-dicarboxylic acid?
The IUPAC name of 6-methylpyrimidine-4,5-dicarboxylic acid (CID 90696614) is 6-methylpyrimidine-4,5-dicarboxylic acid.
What is the SMILES notation for 6-methylpyrimidine-4,5-dicarboxylic acid?
The canonical SMILES for 6-methylpyrimidine-4,5-dicarboxylic acid is Cc1ncnc(C(=O)O)c1C(=O)O.
What is the InChIKey of 6-methylpyrimidine-4,5-dicarboxylic acid?
The InChIKey is DXPHTYKFCDOUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c1-3-4(6(10)11)5(7(12)13)9-2-8-3/h2H,1H3,(H,10,11)(H,12,13).
What are the key properties of 6-methylpyrimidine-4,5-dicarboxylic acid?
6-methylpyrimidine-4,5-dicarboxylic acid has a molecular weight of 182.13 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylpyrimidine-4,5-dicarboxylic acid is sourced from PubChem (CID 90696614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).