methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate

C12H15FN2O3 — CID 126686692

IUPACmethyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OCC(C)(C)F)c1C(=O)OC
InChIInChI=1S/C12H15FN2O3/c1-5-8-9(11(16)17-4)10(15-7-14-8)18-6-12(2,3)13/h5,7H,1,6H2,2-4H3
InChIKeyLQXSFYPCBNXKHO-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.03
Rot. Bonds5

About methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate

methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate (PubChem CID 126686692) has the molecular formula C12H15FN2O3 and a molecular weight of 254.26 g/mol. Its IUPAC name is methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate
PubChem CID126686692
Molecular FormulaC12H15FN2O3
Molecular Weight254.26 g/mol
Exact Mass254.11
IUPAC Namemethyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate
SMILESC=Cc1ncnc(OCC(C)(C)F)c1C(=O)OC
InChIInChI=1S/C12H15FN2O3/c1-5-8-9(11(16)17-4)10(15-7-14-8)18-6-12(2,3)13/h5,7H,1,6H2,2-4H3
InChIKeyLQXSFYPCBNXKHO-UHFFFAOYSA-N
XLogP2.03
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.03
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
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-(2,2-difluorobutoxy)-6-ethenylpyrimidine-5-carboxylate;methyl 4-(2,2-difluorobutoxy)-6-formylpyrimidine-5-carboxylate
CID 157310300
Methyl 4,6-dichloropyrimidine-5-carboxylate;methyl 4-(2,2-difluoroethoxy)-6-ethenylpyrimidine-5-carboxylate
CID 161441046

Frequently Asked Questions

What is the IUPAC name of methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate (CID 126686692) is methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate is C=Cc1ncnc(OCC(C)(C)F)c1C(=O)OC.
What is the InChIKey of methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate?
The InChIKey is LQXSFYPCBNXKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3/c1-5-8-9(11(16)17-4)10(15-7-14-8)18-6-12(2,3)13/h5,7H,1,6H2,2-4H3.
What are the key properties of methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate?
methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate has a molecular weight of 254.26 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-ethenyl-6-(2-fluoro-2-methylpropoxy)pyrimidine-5-carboxylate is sourced from PubChem (CID 126686692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).