2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile

C10H11ClN4 — CID 167090091

IUPAC2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1N1CCCCC1
InChIInChI=1S/C10H11ClN4/c11-10-13-7-8(6-12)9(14-10)15-4-2-1-3-5-15/h7H,1-5H2
InChIKeyAVKTZEXUFGLXEW-UHFFFAOYSA-N
MW222.68 g/mol
LogP1.99
Rot. Bonds1

About 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile

2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 167090091) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID167090091
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(Cl)nc1N1CCCCC1
InChIInChI=1S/C10H11ClN4/c11-10-13-7-8(6-12)9(14-10)15-4-2-1-3-5-15/h7H,1-5H2
InChIKeyAVKTZEXUFGLXEW-UHFFFAOYSA-N
XLogP1.99
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile (CID 167090091) is 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile is N#Cc1cnc(Cl)nc1N1CCCCC1.
What is the InChIKey of 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is AVKTZEXUFGLXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-10-13-7-8(6-12)9(14-10)15-4-2-1-3-5-15/h7H,1-5H2.
What are the key properties of 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile?
2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 222.68 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 167090091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).