methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate

C15H16FN3O2 — CID 66284811

IUPACmethyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C15H16FN3O2/c1-10-9-13(19-14(18-10)15(20)21-2)17-8-7-11-5-3-4-6-12(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWMXRIEWCSIBFKT-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.37
Rot. Bonds5

About methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66284811) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID66284811
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Namemethyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCCc2ccccc2F)n1
InChIInChI=1S/C15H16FN3O2/c1-10-9-13(19-14(18-10)15(20)21-2)17-8-7-11-5-3-4-6-12(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,18,19)
InChIKeyWMXRIEWCSIBFKT-UHFFFAOYSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate (CID 66284811) is methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCCc2ccccc2F)n1.
What is the InChIKey of methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is WMXRIEWCSIBFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10-9-13(19-14(18-10)15(20)21-2)17-8-7-11-5-3-4-6-12(11)16/h3-6,9H,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66284811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).