2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile

C11H13FN4 — CID 169090118

IUPAC2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile
SMILESCc1cnc(N2CCCC(F)C2)nc1C#N
InChIInChI=1S/C11H13FN4/c1-8-6-14-11(15-10(8)5-13)16-4-2-3-9(12)7-16/h6,9H,2-4,7H2,1H3
InChIKeyNYKBEIAICKICJZ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.60
Rot. Bonds1

About 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile

2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile (PubChem CID 169090118) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile
PubChem CID169090118
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile
SMILESCc1cnc(N2CCCC(F)C2)nc1C#N
InChIInChI=1S/C11H13FN4/c1-8-6-14-11(15-10(8)5-13)16-4-2-3-9(12)7-16/h6,9H,2-4,7H2,1H3
InChIKeyNYKBEIAICKICJZ-UHFFFAOYSA-N
XLogP1.60
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile (CID 169090118) is 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile is Cc1cnc(N2CCCC(F)C2)nc1C#N.
What is the InChIKey of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile?
The InChIKey is NYKBEIAICKICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8-6-14-11(15-10(8)5-13)16-4-2-3-9(12)7-16/h6,9H,2-4,7H2,1H3.
What are the key properties of 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile?
2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropiperidin-1-yl)-5-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 169090118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).