ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate

C10H14N2O4 — CID 123833123

IUPACethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)nc1OC
InChIInChI=1S/C10H14N2O4/c1-5-16-9(13)7-6(2)11-10(15-4)12-8(7)14-3/h5H2,1-4H3
InChIKeyIRLFZTOOYFKMMR-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.98
Rot. Bonds4

About ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate

ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate (PubChem CID 123833123) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
PubChem CID123833123
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(OC)nc1OC
InChIInChI=1S/C10H14N2O4/c1-5-16-9(13)7-6(2)11-10(15-4)12-8(7)14-3/h5H2,1-4H3
InChIKeyIRLFZTOOYFKMMR-UHFFFAOYSA-N
XLogP0.98
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 4-(2-ethoxycarbonylprop-2-enyl)-2,6-dimethoxypyrimidine-5-carboxylate
CID 134975315
Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid
CID 45588336
Methyl 4-(2,2-difluoropropoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495021
Methyl 4-(2,2-difluoroethoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495022
Methyl 4-(2,2-difluorobutoxy)-6-ethenylpyrimidine-5-carboxylate
CID 125495032
Methyl 4-(2,2-difluorobutoxy)-6-formylpyrimidine-5-carboxylate
CID 125495114
Methyl 4-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495122
Methyl 4-(2,2-difluoroethoxy)-6-formylpyrimidine-5-carboxylate
CID 125495157
Methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate
CID 126686692
Ethyl 2,4-dimethoxy-6-prop-2-enylpyrimidine-5-carboxylate
CID 121015747
4-Methoxy-2-methyl-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 82389313

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate (CID 123833123) is ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(OC)nc1OC.
What is the InChIKey of ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is IRLFZTOOYFKMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5-16-9(13)7-6(2)11-10(15-4)12-8(7)14-3/h5H2,1-4H3.
What are the key properties of ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 123833123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).