methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate

C14H14FN3O3 — CID 90440255

IUPACmethyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2F)nc(N)c1OC
InChIInChI=1S/C14H14FN3O3/c1-7-4-5-8(9(15)6-7)13-17-10(14(19)21-3)11(20-2)12(16)18-13/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyBPKNMCRTFQEUOK-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.97
Rot. Bonds3

About methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate

methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate (PubChem CID 90440255) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
PubChem CID90440255
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Namemethyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)cc2F)nc(N)c1OC
InChIInChI=1S/C14H14FN3O3/c1-7-4-5-8(9(15)6-7)13-17-10(14(19)21-3)11(20-2)12(16)18-13/h4-6H,1-3H3,(H2,16,17,18)
InChIKeyBPKNMCRTFQEUOK-UHFFFAOYSA-N
XLogP1.97
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-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

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate (CID 90440255) is methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(C)cc2F)nc(N)c1OC.
What is the InChIKey of methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?
The InChIKey is BPKNMCRTFQEUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-7-4-5-8(9(15)6-7)13-17-10(14(19)21-3)11(20-2)12(16)18-13/h4-6H,1-3H3,(H2,16,17,18).
What are the key properties of methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate?
methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-(2-fluoro-4-methylphenyl)-5-methoxypyrimidine-4-carboxylate is sourced from PubChem (CID 90440255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).