methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate

C11H14N2O3 — CID 144628075

IUPACmethyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)ncnc1OC1CCC1
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15-2)10(13-6-12-7)16-8-4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyRDNYDZVVCUDUER-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.50
Rot. Bonds3

About methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate

methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate (PubChem CID 144628075) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate
PubChem CID144628075
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)ncnc1OC1CCC1
InChIInChI=1S/C11H14N2O3/c1-7-9(11(14)15-2)10(13-6-12-7)16-8-4-3-5-8/h6,8H,3-5H2,1-2H3
InChIKeyRDNYDZVVCUDUER-UHFFFAOYSA-N
XLogP1.50
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Ethoxy-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 17862878
4-Methoxy-6-trifluoromethyl-pyrimidine-5-carbaldehyde
CID 17862898
methyl 4-ethenyl-6-[(3Z,5E)-7-fluoro-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]oxypyrimidine-5-carboxylate
CID 90167348
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-formyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495044
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate (CID 144628075) is methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate is COC(=O)c1c(C)ncnc1OC1CCC1.
What is the InChIKey of methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate?
The InChIKey is RDNYDZVVCUDUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-9(11(14)15-2)10(13-6-12-7)16-8-4-3-5-8/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate?
methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 144628075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).