2-piperidin-1-ylpyrimidine-5-carbonitrile

C10H12N4 — CID 37134553

IUPAC2-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C10H12N4/c11-6-9-7-12-10(13-8-9)14-4-2-1-3-5-14/h7-8H,1-5H2
InChIKeyYVRPEQINEJEABK-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.34
Rot. Bonds1

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

2-piperidin-1-ylpyrimidine-5-carbonitrile (PubChem CID 37134553) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-piperidin-1-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-piperidin-1-ylpyrimidine-5-carbonitrile
PubChem CID37134553
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-piperidin-1-ylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(N2CCCCC2)nc1
InChIInChI=1S/C10H12N4/c11-6-9-7-12-10(13-8-9)14-4-2-1-3-5-14/h7-8H,1-5H2
InChIKeyYVRPEQINEJEABK-UHFFFAOYSA-N
XLogP1.34
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-piperidin-1-ylpyrimidine-5-carbonitrile (CID 37134553) is 2-piperidin-1-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-piperidin-1-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-piperidin-1-ylpyrimidine-5-carbonitrile is N#Cc1cnc(N2CCCCC2)nc1.
What is the InChIKey of 2-piperidin-1-ylpyrimidine-5-carbonitrile?
The InChIKey is YVRPEQINEJEABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c11-6-9-7-12-10(13-8-9)14-4-2-1-3-5-14/h7-8H,1-5H2.
What are the key properties of 2-piperidin-1-ylpyrimidine-5-carbonitrile?
2-piperidin-1-ylpyrimidine-5-carbonitrile has a molecular weight of 188.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 37134553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).