methyl 6-methoxypyrimidine-4-carboxylate

C7H8N2O3 — CID 68757587

IUPACmethyl 6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncn1
InChIInChI=1S/C7H8N2O3/c1-11-6-3-5(7(10)12-2)8-4-9-6/h3-4H,1-2H3
InChIKeyPRNWYNQPUWVBMN-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.27
Rot. Bonds2

About methyl 6-methoxypyrimidine-4-carboxylate

methyl 6-methoxypyrimidine-4-carboxylate (PubChem CID 68757587) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is methyl 6-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxypyrimidine-4-carboxylate
PubChem CID68757587
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Namemethyl 6-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(OC)ncn1
InChIInChI=1S/C7H8N2O3/c1-11-6-3-5(7(10)12-2)8-4-9-6/h3-4H,1-2H3
InChIKeyPRNWYNQPUWVBMN-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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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 6-methoxypyrimidine-4-carboxylate (CID 68757587) is methyl 6-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-methoxypyrimidine-4-carboxylate is COC(=O)c1cc(OC)ncn1.
What is the InChIKey of methyl 6-methoxypyrimidine-4-carboxylate?
The InChIKey is PRNWYNQPUWVBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-11-6-3-5(7(10)12-2)8-4-9-6/h3-4H,1-2H3.
What are the key properties of methyl 6-methoxypyrimidine-4-carboxylate?
methyl 6-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 6-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 68757587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).