methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate

C14H11ClFN3O2 — CID 66778914

IUPACmethyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2cc(F)cc(Cl)c2)nc1C(=O)OC
InChIInChI=1S/C14H11ClFN3O2/c1-3-10-11(14(20)21-2)18-13(19-12(10)17)7-4-8(15)6-9(16)5-7/h3-6H,1H2,2H3,(H2,17,18,19)
InChIKeyABYBEOFNDJMBHN-UHFFFAOYSA-N
MW307.71 g/mol
LogP2.95
Rot. Bonds3

About methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate

methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate (PubChem CID 66778914) has the molecular formula C14H11ClFN3O2 and a molecular weight of 307.71 g/mol. Its IUPAC name is methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
PubChem CID66778914
Molecular FormulaC14H11ClFN3O2
Molecular Weight307.71 g/mol
Exact Mass307.05
IUPAC Namemethyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2cc(F)cc(Cl)c2)nc1C(=O)OC
InChIInChI=1S/C14H11ClFN3O2/c1-3-10-11(14(20)21-2)18-13(19-12(10)17)7-4-8(15)6-9(16)5-7/h3-6H,1H2,2H3,(H2,17,18,19)
InChIKeyABYBEOFNDJMBHN-UHFFFAOYSA-N
XLogP2.95
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.71
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
CID 66777112
methyl 6-amino-2-(4-bromophenyl)-5-ethenylpyrimidine-4-carboxylate
CID 66778193
methyl 6-amino-2-[4-chloro-3-(difluoromethoxy)-2-fluorophenyl]-5-ethenylpyrimidine-4-carboxylate
CID 59432076
methyl 6-amino-2-(1,3-benzodioxol-5-yl)-5-ethenylpyrimidine-4-carboxylate
CID 66778813
methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497064
methyl 4-amino-2-(3-fluoro-5-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647671
methyl 6-amino-2-(4-chloro-2,3-difluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497077
methyl 4-amino-6-chloro-3-ethenyl-5-fluoropyridine-2-carboxylate;methyl 4-amino-6-chloro-5-fluoro-3-iodopyridine-2-carboxylate
CID 157301933
methyl 3-(3-chloro-5-fluorophenyl)-5-nitrobenzoate
CID 75488454
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314
methyl 6-amino-5-chloro-2-(2-methoxypyrimidin-5-yl)pyrimidine-4-carboxylate
CID 67221322
6-amino-5-ethenyl-2-[2-fluoro-4-(methylamino)phenyl]pyrimidine-4-carboxylic acid
CID 123549540

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate (CID 66778914) is methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2cc(F)cc(Cl)c2)nc1C(=O)OC.
What is the InChIKey of methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate?
The InChIKey is ABYBEOFNDJMBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2/c1-3-10-11(14(20)21-2)18-13(19-12(10)17)7-4-8(15)6-9(16)5-7/h3-6H,1H2,2H3,(H2,17,18,19).
What are the key properties of methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate?
methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate has a molecular weight of 307.71 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate is sourced from PubChem (CID 66778914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).