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

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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).