methyl 2-methoxypyrimidine-4-carboxylate

C7H8N2O3 — CID 12570284

IUPACmethyl 2-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6(10)5-3-4-8-7(9-5)12-2/h3-4H,1-2H3
InChIKeyPVZFDCZDHLLGSY-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.27
Rot. Bonds2

About methyl 2-methoxypyrimidine-4-carboxylate

methyl 2-methoxypyrimidine-4-carboxylate (PubChem CID 12570284) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 2-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxypyrimidine-4-carboxylate
PubChem CID12570284
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 2-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1ccnc(OC)n1
InChIInChI=1S/C7H8N2O3/c1-11-6(10)5-3-4-8-7(9-5)12-2/h3-4H,1-2H3
InChIKeyPVZFDCZDHLLGSY-UHFFFAOYSA-N
XLogP0.27
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Pyrimidinecarboxylic acid
CID 169306
2-Hydrazinylpyrimidine-4-carboxylic acid
CID 83672127
4,5-Diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
2-Methyl-4-pyrimidinecarboxylic acid
CID 18676097
Methyl pyrimidine-4-carboxylate
CID 254248
2-Aminopyrimidine-4-carboxylic acid
CID 247194
Ethyl pyrimidine-4-carboxylate
CID 13639438
Ethyl 5-bromopyrimidine-4-carboxylate
CID 21329195
2-Chloropyrimidine-4-carboxylic acid
CID 22135751
4-Pyrimidinecarboxylic acid, 2-bromo-
CID 72710417
Ethyl 2-amino-5-methylpyrimidine-4-carboxylate
CID 91663005
Methyl 6-chloropyrimidine-4-carboxylate
CID 245927

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 2-methoxypyrimidine-4-carboxylate (CID 12570284) is methyl 2-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 2-methoxypyrimidine-4-carboxylate is COC(=O)c1ccnc(OC)n1.
What is the InChIKey of methyl 2-methoxypyrimidine-4-carboxylate?
The InChIKey is PVZFDCZDHLLGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-6(10)5-3-4-8-7(9-5)12-2/h3-4H,1-2H3.
What are the key properties of methyl 2-methoxypyrimidine-4-carboxylate?
methyl 2-methoxypyrimidine-4-carboxylate has a molecular weight of 168.15 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 12570284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).