methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate

C12H12FN5O2 — CID 146317201

IUPACmethyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(N)nc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN5O2/c1-18(8-5-3-7(13)4-6-8)12-16-9(10(19)20-2)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyWKMNWHJGYAOGBJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.15
Rot. Bonds3

About methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate

methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate (PubChem CID 146317201) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate
PubChem CID146317201
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Namemethyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate
SMILESCOC(=O)c1nc(N)nc(N(C)c2ccc(F)cc2)n1
InChIInChI=1S/C12H12FN5O2/c1-18(8-5-3-7(13)4-6-8)12-16-9(10(19)20-2)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17)
InChIKeyWKMNWHJGYAOGBJ-UHFFFAOYSA-N
XLogP1.15
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-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 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate (CID 146317201) is methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate is COC(=O)c1nc(N)nc(N(C)c2ccc(F)cc2)n1.
What is the InChIKey of methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate?
The InChIKey is WKMNWHJGYAOGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-18(8-5-3-7(13)4-6-8)12-16-9(10(19)20-2)15-11(14)17-12/h3-6H,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate?
methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate has a molecular weight of 277.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-fluoro-N-methylanilino)-1,3,5-triazine-2-carboxylate is sourced from PubChem (CID 146317201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).