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

C9H12N2O4 — CID 14222966

IUPACmethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O4/c1-5-6(8(12)14-3)7(13-2)11-9(10-5)15-4/h1-4H3
InChIKeyKITTVFUPRYITJL-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.59
Rot. Bonds3

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

methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate (PubChem CID 14222966) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
PubChem CID14222966
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(OC)nc1OC
InChIInChI=1S/C9H12N2O4/c1-5-6(8(12)14-3)7(13-2)11-9(10-5)15-4/h1-4H3
InChIKeyKITTVFUPRYITJL-UHFFFAOYSA-N
XLogP0.59
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)-5-pyrimidinecarboxylic acid
CID 45588336
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
4-Methoxy-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 82392288
2,4-Dimethoxy-6-methylpyrimidine-5-carboxylic acid
CID 13798482
2-Chloro-4-methoxy-6-methyl-pyrimidine-5-carboxylic acid methyl ester
CID 57531430
4-Methoxy-2,6-dimethylpyrimidine-5-carboxamide
CID 57781800
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
Ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 123833123
Methyl 4-formyl-6-methoxypyrimidine-5-carboxylate
CID 131992679
(4Z)-12-methyl-14-(propan-2-ylamino)-2,7,9-trioxa-13,15-diazabicyclo[9.4.0]pentadeca-1(15),4,11,13-tetraene-3,6,10-trione
CID 140362424

Frequently Asked Questions

What is the IUPAC name of methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate (CID 14222966) is methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)nc(OC)nc1OC.
What is the InChIKey of methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is KITTVFUPRYITJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-6(8(12)14-3)7(13-2)11-9(10-5)15-4/h1-4H3.
What are the key properties of methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate?
methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 212.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 14222966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).