6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid

C10H12N2O3 — CID 83820399

IUPAC6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-15-5-9-11-7(6-2-3-6)4-8(12-9)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyIQJDGPGFIKWWJF-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.20
Rot. Bonds4

About 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid

6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid (PubChem CID 83820399) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid
PubChem CID83820399
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-15-5-9-11-7(6-2-3-6)4-8(12-9)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14)
InChIKeyIQJDGPGFIKWWJF-UHFFFAOYSA-N
XLogP1.20
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid (CID 83820399) is 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid is COCc1nc(C(=O)O)cc(C2CC2)n1.
What is the InChIKey of 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid?
The InChIKey is IQJDGPGFIKWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-15-5-9-11-7(6-2-3-6)4-8(12-9)10(13)14/h4,6H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid?
6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 83820399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).