methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate

C17H19ClFN3O2Si — CID 70497064

IUPACmethyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2F)nc(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C17H19ClFN3O2Si/c1-24-17(23)14-12(7-8-25(2,3)4)15(20)22-16(21-14)11-6-5-10(18)9-13(11)19/h5-9H,1-4H3,(H2,20,21,22)
InChIKeyLZAKVPSKSREWLC-UHFFFAOYSA-N
MW379.90 g/mol
LogP4.20
Rot. Bonds4

About methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate

methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate (PubChem CID 70497064) has the molecular formula C17H19ClFN3O2Si and a molecular weight of 379.90 g/mol. Its IUPAC name is methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
PubChem CID70497064
Molecular FormulaC17H19ClFN3O2Si
Molecular Weight379.90 g/mol
Exact Mass379.09
IUPAC Namemethyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2F)nc(N)c1C=C[Si](C)(C)C
InChIInChI=1S/C17H19ClFN3O2Si/c1-24-17(23)14-12(7-8-25(2,3)4)15(20)22-16(21-14)11-6-5-10(18)9-13(11)19/h5-9H,1-4H3,(H2,20,21,22)
InChIKeyLZAKVPSKSREWLC-UHFFFAOYSA-N
XLogP4.20
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.90
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methyl 6-amino-2-(4-chloro-2,3-difluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497077
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
CID 90440255
methyl 6-amino-2-(2-fluoro-4-formylphenyl)-5-methoxypyrimidine-4-carboxylate
CID 90409124
methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70497567
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
CID 66778914
methyl 6-amino-2-[4-chloro-3-(difluoromethoxy)-2-fluorophenyl]-5-ethenylpyrimidine-4-carboxylate
CID 59432076
methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
CID 66777112
methyl 4-amino-2-(4-chloro-2-methoxyphenyl)-6-methylpyrimidine-5-carboxylate
CID 106820046
6-amino-5-ethenyl-2-[2-fluoro-4-(methylamino)phenyl]pyrimidine-4-carboxylic acid
CID 123549540
methyl 6-amino-2-(7-chloro-1-benzofuran-4-yl)-5-methoxypyrimidine-4-carboxylate
CID 90451038

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate (CID 70497064) is methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2F)nc(N)c1C=C[Si](C)(C)C.
What is the InChIKey of methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate?
The InChIKey is LZAKVPSKSREWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClFN3O2Si/c1-24-17(23)14-12(7-8-25(2,3)4)15(20)22-16(21-14)11-6-5-10(18)9-13(11)19/h5-9H,1-4H3,(H2,20,21,22).
What are the key properties of methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate?
methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate has a molecular weight of 379.90 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 70497064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).