methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate

C15H14FN3O2 — CID 66777112

IUPACmethyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2ccc(F)c(C)c2)nc1C(=O)OC
InChIInChI=1S/C15H14FN3O2/c1-4-10-12(15(20)21-3)18-14(19-13(10)17)9-5-6-11(16)8(2)7-9/h4-7H,1H2,2-3H3,(H2,17,18,19)
InChIKeyZGHSTTSGQCRIKL-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.60
Rot. Bonds3

About methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate

methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate (PubChem CID 66777112) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
PubChem CID66777112
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC Namemethyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate
SMILESC=Cc1c(N)nc(-c2ccc(F)c(C)c2)nc1C(=O)OC
InChIInChI=1S/C15H14FN3O2/c1-4-10-12(15(20)21-3)18-14(19-13(10)17)9-5-6-11(16)8(2)7-9/h4-7H,1H2,2-3H3,(H2,17,18,19)
InChIKeyZGHSTTSGQCRIKL-UHFFFAOYSA-N
XLogP2.60
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-amino-2-(4-bromophenyl)-5-ethenylpyrimidine-4-carboxylate
CID 66778193
methyl 6-amino-2-(3-chloro-5-fluorophenyl)-5-ethenylpyrimidine-4-carboxylate
CID 66778914
methyl 6-amino-2-(1,3-benzodioxol-5-yl)-5-ethenylpyrimidine-4-carboxylate
CID 66778813
methyl 6-amino-2-[4-chloro-3-(difluoromethoxy)-2-fluorophenyl]-5-ethenylpyrimidine-4-carboxylate
CID 59432076
methyl 6-amino-2-(4-chloro-2-fluorophenyl)-5-(2-trimethylsilylethenyl)pyrimidine-4-carboxylate
CID 70497064
methyl 3-(4-fluoro-3-methylphenyl)benzoate
CID 75488193
methyl 6-amino-2-(4-bromophenyl)-5-methylpyrimidine-4-carboxylate
CID 163934014
6-amino-5-ethenyl-2-[2-fluoro-4-(methylamino)phenyl]pyrimidine-4-carboxylic acid
CID 123549540
methyl 6-amino-5-prop-2-enyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxylate
CID 66779158
methyl 2-(4-fluoro-3-methylphenyl)-6-(2,2,2-trifluoroacetyl)pyridine-4-carboxylate
CID 144796299
methyl 4-amino-2-(4-methoxy-3-methylphenyl)-6-methylpyrimidine-5-carboxylate
CID 116647675
ethyl 5-(4-fluoro-3-methylphenyl)-2H-triazole-4-carboxylate
CID 169399097

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate (CID 66777112) is methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate is C=Cc1c(N)nc(-c2ccc(F)c(C)c2)nc1C(=O)OC.
What is the InChIKey of methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate?
The InChIKey is ZGHSTTSGQCRIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-4-10-12(15(20)21-3)18-14(19-13(10)17)9-5-6-11(16)8(2)7-9/h4-7H,1H2,2-3H3,(H2,17,18,19).
What are the key properties of methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate?
methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate has a molecular weight of 287.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-ethenyl-2-(4-fluoro-3-methylphenyl)pyrimidine-4-carboxylate is sourced from PubChem (CID 66777112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).