2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid

C10H12N2O3 — CID 23020305

IUPAC2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OCC2CC2)ncc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-8(9(13)14)4-11-10(12-6)15-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyWQWQLECALREZAF-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.27
Rot. Bonds4

About 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid

2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 23020305) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
PubChem CID23020305
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(OCC2CC2)ncc1C(=O)O
InChIInChI=1S/C10H12N2O3/c1-6-8(9(13)14)4-11-10(12-6)15-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14)
InChIKeyWQWQLECALREZAF-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid (CID 23020305) is 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(OCC2CC2)ncc1C(=O)O.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is WQWQLECALREZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-8(9(13)14)4-11-10(12-6)15-5-7-2-3-7/h4,7H,2-3,5H2,1H3,(H,13,14).
What are the key properties of 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid?
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 23020305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).