methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate

C7H8FN3O2 — CID 66286157

IUPACmethyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(F)c(N)n1
InChIInChI=1S/C7H8FN3O2/c1-3-4(8)5(9)11-6(10-3)7(12)13-2/h1-2H3,(H2,9,10,11)
InChIKeyKAJKRYWFWJQBCG-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.29
Rot. Bonds1

About methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate

methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate (PubChem CID 66286157) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate
PubChem CID66286157
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Namemethyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)c(F)c(N)n1
InChIInChI=1S/C7H8FN3O2/c1-3-4(8)5(9)11-6(10-3)7(12)13-2/h1-2H3,(H2,9,10,11)
InChIKeyKAJKRYWFWJQBCG-UHFFFAOYSA-N
XLogP0.29
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate (CID 66286157) is methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)c(F)c(N)n1.
What is the InChIKey of methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate?
The InChIKey is KAJKRYWFWJQBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c1-3-4(8)5(9)11-6(10-3)7(12)13-2/h1-2H3,(H2,9,10,11).
What are the key properties of methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate?
methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate has a molecular weight of 185.16 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-fluoro-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).