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

C18H20FN5O — CID 155798471

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-4-7-24(8-5-14)16-9-15(10-20)3-6-21-16/h3,6,9,14H,4-5,7-8,11H2,1-2H3
InChIKeyCTRHPUJUXAEHFC-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds4

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

2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 155798471) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
PubChem CID155798471
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-4-7-24(8-5-14)16-9-15(10-20)3-6-21-16/h3,6,9,14H,4-5,7-8,11H2,1-2H3
InChIKeyCTRHPUJUXAEHFC-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 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile (CID 155798471) is 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile is Cc1nc(C)c(F)c(OCC2CCN(c3cc(C#N)ccn3)CC2)n1.
What is the InChIKey of 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
The InChIKey is CTRHPUJUXAEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-4-7-24(8-5-14)16-9-15(10-20)3-6-21-16/h3,6,9,14H,4-5,7-8,11H2,1-2H3.
What are the key properties of 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile?
2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-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 2-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 155798471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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