(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate

C17H19FN4O2 — CID 75503176

IUPAC(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate
SMILESCc1cc(COC(=O)c2ccc(F)cn2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H19FN4O2/c1-12-9-14(21-17(20-12)22-7-3-2-4-8-22)11-24-16(23)15-6-5-13(18)10-19-15/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyIKMWHDGRKRFPFX-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.67
Rot. Bonds4

About (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate

(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate (PubChem CID 75503176) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate.

Molecular Properties

Compound Name(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate
PubChem CID75503176
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate
SMILESCc1cc(COC(=O)c2ccc(F)cn2)nc(N2CCCCC2)n1
InChIInChI=1S/C17H19FN4O2/c1-12-9-14(21-17(20-12)22-7-3-2-4-8-22)11-24-16(23)15-6-5-13(18)10-19-15/h5-6,9-10H,2-4,7-8,11H2,1H3
InChIKeyIKMWHDGRKRFPFX-UHFFFAOYSA-N
XLogP2.67
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate?
The IUPAC name of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate (CID 75503176) is (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate.
What is the SMILES notation for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate?
The canonical SMILES for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate is Cc1cc(COC(=O)c2ccc(F)cn2)nc(N2CCCCC2)n1.
What is the InChIKey of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate?
The InChIKey is IKMWHDGRKRFPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-12-9-14(21-17(20-12)22-7-3-2-4-8-22)11-24-16(23)15-6-5-13(18)10-19-15/h5-6,9-10H,2-4,7-8,11H2,1H3.
What are the key properties of (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate?
(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl 5-fluoropyridine-2-carboxylate is sourced from PubChem (CID 75503176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).