methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate

C12H14N2O3 — CID 90166869

IUPACmethyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OC2CCC2)c1C(=O)OC
InChIInChI=1S/C12H14N2O3/c1-3-9-10(12(15)16-2)11(14-7-13-9)17-8-5-4-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyGXSZRGICEBNWPO-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.84
Rot. Bonds4

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

methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate (PubChem CID 90166869) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate
PubChem CID90166869
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Namemethyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OC2CCC2)c1C(=O)OC
InChIInChI=1S/C12H14N2O3/c1-3-9-10(12(15)16-2)11(14-7-13-9)17-8-5-4-6-8/h3,7-8H,1,4-6H2,2H3
InChIKeyGXSZRGICEBNWPO-UHFFFAOYSA-N
XLogP1.84
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-ethenyl-6-(2,2,2-trifluoroethoxy)pyrimidine-5-carboxylate
CID 125495122
Methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate
CID 126686692
Methyl 4,6-dichloropyrimidine-5-carboxylate;methyl 4-(2,2-difluoroethoxy)-6-ethenylpyrimidine-5-carboxylate
CID 161441046
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
4-Cyclobutyloxy-6-ethenylpyrimidine-5-carboxylic acid
CID 118401654
Ethyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 123833123
Methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate
CID 144628075
Methyl 4-ethenyl-6-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidine-5-carboxylate
CID 169150043

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate?
The IUPAC name of methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate (CID 90166869) is methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate is C=Cc1ncnc(OC2CCC2)c1C(=O)OC.
What is the InChIKey of methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate?
The InChIKey is GXSZRGICEBNWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-3-9-10(12(15)16-2)11(14-7-13-9)17-8-5-4-6-8/h3,7-8H,1,4-6H2,2H3.
What are the key properties of methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate?
methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate has a molecular weight of 234.25 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclobutyloxy-6-ethenylpyrimidine-5-carboxylate is sourced from PubChem (CID 90166869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).