4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate

C10H11N2O3- — CID 20982073

IUPAC4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate
SMILESCOc1nc(C)c(C(=O)[O-])c(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-5-7(9(13)14)8(6-3-4-6)12-10(11-5)15-2/h6H,3-4H2,1-2H3,(H,13,14)/p-1
InChIKeyHXLFCFXITJUCES-UHFFFAOYSA-M
MW207.21 g/mol
LogP0.03
Rot. Bonds3

About 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate

4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate (PubChem CID 20982073) has the molecular formula C10H11N2O3- and a molecular weight of 207.21 g/mol. Its IUPAC name is 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate
PubChem CID20982073
Molecular FormulaC10H11N2O3-
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate
SMILESCOc1nc(C)c(C(=O)[O-])c(C2CC2)n1
InChIInChI=1S/C10H12N2O3/c1-5-7(9(13)14)8(6-3-4-6)12-10(11-5)15-2/h6H,3-4H2,1-2H3,(H,13,14)/p-1
InChIKeyHXLFCFXITJUCES-UHFFFAOYSA-M
XLogP0.03
TPSA75.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate (CID 20982073) is 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate is COc1nc(C)c(C(=O)[O-])c(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is HXLFCFXITJUCES-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3/c1-5-7(9(13)14)8(6-3-4-6)12-10(11-5)15-2/h6H,3-4H2,1-2H3,(H,13,14)/p-1.
What are the key properties of 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate?
4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 207.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-methoxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 20982073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).