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

C18H20FN5O — CID 155798471

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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Related Compounds

6-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798498
5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
CID 155798571
2-[4-[(5-ethyl-6-methylpyridazin-3-yl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 155974509
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
4-[[1-(5,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
CID 155798510
4-[[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]methoxy]-5-fluoro-2,6-dimethylpyrimidine
CID 155941992
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
3-cyclopropyl-5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-1,2,4-thiadiazole
CID 155798596
2-[(3S)-3-[[(6-methyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 125142174
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-methyl-4-[4-[(3-methylpyrazin-2-yl)oxymethyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 165435044
2-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 24699773

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).