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

C18H20FN5O — CID 155798571

IUPAC5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-5-7-24(8-6-14)16-4-3-15(9-20)21-10-16/h3-4,10,14H,5-8,11H2,1-2H3
InChIKeyLXHJQJRYMKNBCQ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.79
Rot. Bonds4

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

5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (PubChem CID 155798571) has the molecular formula C18H20FN5O and a molecular weight of 341.39 g/mol. Its IUPAC name is 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
PubChem CID155798571
Molecular FormulaC18H20FN5O
Molecular Weight341.39 g/mol
Exact Mass341.17
IUPAC Name5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile
SMILESCc1nc(C)c(F)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1
InChIInChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-5-7-24(8-6-14)16-4-3-15(9-20)21-10-16/h3-4,10,14H,5-8,11H2,1-2H3
InChIKeyLXHJQJRYMKNBCQ-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile (CID 155798571) is 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is Cc1nc(C)c(F)c(OCC2CCN(c3ccc(C#N)nc3)CC2)n1.
What is the InChIKey of 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is LXHJQJRYMKNBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O/c1-12-17(19)18(23-13(2)22-12)25-11-14-5-7-24(8-6-14)16-4-3-15(9-20)21-10-16/h3-4,10,14H,5-8,11H2,1-2H3.
What are the key properties of 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile?
5-[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 5-[4-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 155798571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).