methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate

C15H16FN3O2 — CID 66286453

IUPACmethyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2/c1-9-8-13(19-14(17-9)15(20)21-3)18-10(2)11-4-6-12(16)7-5-11/h4-8,10H,1-3H3,(H,17,18,19)
InChIKeyOGLNRVXMDSRYLZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.88
Rot. Bonds4

About methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate

methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66286453) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
PubChem CID66286453
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Namemethyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(C)c2ccc(F)cc2)n1
InChIInChI=1S/C15H16FN3O2/c1-9-8-13(19-14(17-9)15(20)21-3)18-10(2)11-4-6-12(16)7-5-11/h4-8,10H,1-3H3,(H,17,18,19)
InChIKeyOGLNRVXMDSRYLZ-UHFFFAOYSA-N
XLogP2.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate (CID 66286453) is methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC(C)c2ccc(F)cc2)n1.
What is the InChIKey of methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is OGLNRVXMDSRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9-8-13(19-14(17-9)15(20)21-3)18-10(2)11-4-6-12(16)7-5-11/h4-8,10H,1-3H3,(H,17,18,19).
What are the key properties of methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 289.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).