4-(methoxymethyl)pyrimidine-5-carboxylic acid

C7H8N2O3 — CID 90787660

IUPAC4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1ncncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-12-3-6-5(7(10)11)2-8-4-9-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyJASMDAFCBRTNAF-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.32
Rot. Bonds3

About 4-(methoxymethyl)pyrimidine-5-carboxylic acid

4-(methoxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 90787660) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-(methoxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(methoxymethyl)pyrimidine-5-carboxylic acid
PubChem CID90787660
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-(methoxymethyl)pyrimidine-5-carboxylic acid
SMILESCOCc1ncncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-12-3-6-5(7(10)11)2-8-4-9-6/h2,4H,3H2,1H3,(H,10,11)
InChIKeyJASMDAFCBRTNAF-UHFFFAOYSA-N
XLogP0.32
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(methoxymethyl)pyrimidine-5-carboxylic acid (CID 90787660) is 4-(methoxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(methoxymethyl)pyrimidine-5-carboxylic acid is COCc1ncncc1C(=O)O.
What is the InChIKey of 4-(methoxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is JASMDAFCBRTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-12-3-6-5(7(10)11)2-8-4-9-6/h2,4H,3H2,1H3,(H,10,11).
What are the key properties of 4-(methoxymethyl)pyrimidine-5-carboxylic acid?
4-(methoxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 90787660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).