methyl 4-formyl-6-methoxypyrimidine-5-carboxylate

C8H8N2O4 — CID 131992679

IUPACmethyl 4-formyl-6-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C=O)ncnc1OC
InChIInChI=1S/C8H8N2O4/c1-13-7-6(8(12)14-2)5(3-11)9-4-10-7/h3-4H,1-2H3
InChIKeyIFVNAQSAYVZMDQ-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.08
Rot. Bonds3

About methyl 4-formyl-6-methoxypyrimidine-5-carboxylate

methyl 4-formyl-6-methoxypyrimidine-5-carboxylate (PubChem CID 131992679) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is methyl 4-formyl-6-methoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-formyl-6-methoxypyrimidine-5-carboxylate
PubChem CID131992679
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Namemethyl 4-formyl-6-methoxypyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C=O)ncnc1OC
InChIInChI=1S/C8H8N2O4/c1-13-7-6(8(12)14-2)5(3-11)9-4-10-7/h3-4H,1-2H3
InChIKeyIFVNAQSAYVZMDQ-UHFFFAOYSA-N
XLogP0.08
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Methoxy-6-trifluoromethyl-pyrimidine-5-carbaldehyde
CID 17862898
Methyl 4-formyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495044
Methyl 4-(2,2-difluorobutoxy)-6-formylpyrimidine-5-carboxylate
CID 125495114
Methyl 4-(2,2-difluoroethoxy)-6-formylpyrimidine-5-carboxylate
CID 125495157
Methyl 4-(2,2-difluorobutoxy)-6-ethenylpyrimidine-5-carboxylate;methyl 4-(2,2-difluorobutoxy)-6-formylpyrimidine-5-carboxylate
CID 157310300
Methyl 4-(2,2-difluoroethoxy)-6-ethenylpyrimidine-5-carboxylate;methyl 4-(2,2-difluoroethoxy)-6-formylpyrimidine-5-carboxylate
CID 162067398
2,4-Dimethoxy-6-methylpyrimidine-5-carboxylic acid
CID 13798482
2-Chloro-4-methoxy-6-methyl-pyrimidine-5-carboxylic acid methyl ester
CID 57531430
Ethyl 6-methoxy-5-methylpyrimidine-4-carboxylate
CID 73425264
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
Ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 123833123

Frequently Asked Questions

What is the IUPAC name of methyl 4-formyl-6-methoxypyrimidine-5-carboxylate?
The IUPAC name of methyl 4-formyl-6-methoxypyrimidine-5-carboxylate (CID 131992679) is methyl 4-formyl-6-methoxypyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-formyl-6-methoxypyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-formyl-6-methoxypyrimidine-5-carboxylate is COC(=O)c1c(C=O)ncnc1OC.
What is the InChIKey of methyl 4-formyl-6-methoxypyrimidine-5-carboxylate?
The InChIKey is IFVNAQSAYVZMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-13-7-6(8(12)14-2)5(3-11)9-4-10-7/h3-4H,1-2H3.
What are the key properties of methyl 4-formyl-6-methoxypyrimidine-5-carboxylate?
methyl 4-formyl-6-methoxypyrimidine-5-carboxylate has a molecular weight of 196.16 g/mol, XLogP of 0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-formyl-6-methoxypyrimidine-5-carboxylate is sourced from PubChem (CID 131992679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).