methyl 6-formyl-2-methylpyrimidine-4-carboxylate

C8H8N2O3 — CID 144869326

IUPACmethyl 6-formyl-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C=O)nc(C)n1
InChIInChI=1S/C8H8N2O3/c1-5-9-6(4-11)3-7(10-5)8(12)13-2/h3-4H,1-2H3
InChIKeyMEANBEBRXPKDTG-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.38
Rot. Bonds2

About methyl 6-formyl-2-methylpyrimidine-4-carboxylate

methyl 6-formyl-2-methylpyrimidine-4-carboxylate (PubChem CID 144869326) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is methyl 6-formyl-2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-formyl-2-methylpyrimidine-4-carboxylate
PubChem CID144869326
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Namemethyl 6-formyl-2-methylpyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(C=O)nc(C)n1
InChIInChI=1S/C8H8N2O3/c1-5-9-6(4-11)3-7(10-5)8(12)13-2/h3-4H,1-2H3
InChIKeyMEANBEBRXPKDTG-UHFFFAOYSA-N
XLogP0.38
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-6-methylpyrimidine-4-carboxylate
CID 818455
methyl 2-bromo-7-methyl-[1,3]thiazolo[5,4-b]pyridine-5-carboxylate
CID 142582005
methyl 6-(hydroxymethyl)-4-methylpyridine-2-carboxylate
CID 72942071
methyl 7-formyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylate
CID 175939656
methyl 6-chloro-4,8-dimethylquinoline-2-carboxylate
CID 82574609
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
methyl 5-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 12619145
6-(2-methoxyphenyl)-2-methylpyrimidine-4-carbaldehyde
CID 83823686
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
methyl 7-chloro-4-methylquinoline-2-carboxylate
CID 82574602

Frequently Asked Questions

What is the IUPAC name of methyl 6-formyl-2-methylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-formyl-2-methylpyrimidine-4-carboxylate (CID 144869326) is methyl 6-formyl-2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-formyl-2-methylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-formyl-2-methylpyrimidine-4-carboxylate is COC(=O)c1cc(C=O)nc(C)n1.
What is the InChIKey of methyl 6-formyl-2-methylpyrimidine-4-carboxylate?
The InChIKey is MEANBEBRXPKDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-5-9-6(4-11)3-7(10-5)8(12)13-2/h3-4H,1-2H3.
What are the key properties of methyl 6-formyl-2-methylpyrimidine-4-carboxylate?
methyl 6-formyl-2-methylpyrimidine-4-carboxylate has a molecular weight of 180.16 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-formyl-2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 144869326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).