methyl 5-methylpyrimidine-2-carboxylate

C7H8N2O2 — CID 53429432

IUPACmethyl 5-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cn1
InChIInChI=1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3
InChIKeyWBEDYPRLVFMBSD-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.57
Rot. Bonds1

About methyl 5-methylpyrimidine-2-carboxylate

methyl 5-methylpyrimidine-2-carboxylate (PubChem CID 53429432) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 5-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylpyrimidine-2-carboxylate
PubChem CID53429432
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Namemethyl 5-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1ncc(C)cn1
InChIInChI=1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3
InChIKeyWBEDYPRLVFMBSD-UHFFFAOYSA-N
XLogP0.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 5-methylpyrimidine-2-carboxylate (CID 53429432) is methyl 5-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-methylpyrimidine-2-carboxylate is COC(=O)c1ncc(C)cn1.
What is the InChIKey of methyl 5-methylpyrimidine-2-carboxylate?
The InChIKey is WBEDYPRLVFMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-5-3-8-6(9-4-5)7(10)11-2/h3-4H,1-2H3.
What are the key properties of methyl 5-methylpyrimidine-2-carboxylate?
methyl 5-methylpyrimidine-2-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 53429432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).