6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile

C18H20FN5O — CID 155798498

IUPAC6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3cccc(C#N)n3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(22-13(2)21-12)25-11-14-6-8-24(9-7-14)16-5-3-4-15(10-20)23-16/h3-5,14H,6-9,11H2,1-2H3
InChIKeyRHKGLBIAFGRLBL-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds4

About 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile

6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 155798498) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID155798498
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3cccc(C#N)n3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(22-13(2)21-12)25-11-14-6-8-24(9-7-14)16-5-3-4-15(10-20)23-16/h3-5,14H,6-9,11H2,1-2H3
InChIKeyRHKGLBIAFGRLBL-UHFFFAOYSA-N
XLogP2.79
TPSA74.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 155798498) is 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is Cc1nc(C)c(F)c(OCC2CCN(c3cccc(C#N)n3)CC2)n1.
What is the InChIKey of 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is RHKGLBIAFGRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-17(19)18(22-13(2)21-12)25-11-14-6-8-24(9-7-14)16-5-3-4-15(10-20)23-16/h3-5,14H,6-9,11H2,1-2H3.
What are the key properties of 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 341.39 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155798498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).