6-piperazin-1-ylpyrimidine-4-carbonitrile

C9H11N5 — CID 126980969

IUPAC6-piperazin-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C9H11N5/c10-6-8-5-9(13-7-12-8)14-3-1-11-2-4-14/h5,7,11H,1-4H2
InChIKeyZOBIWQYUBBCKGJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP-0.24
Rot. Bonds1

About 6-piperazin-1-ylpyrimidine-4-carbonitrile

6-piperazin-1-ylpyrimidine-4-carbonitrile (PubChem CID 126980969) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 6-piperazin-1-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-piperazin-1-ylpyrimidine-4-carbonitrile
PubChem CID126980969
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name6-piperazin-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N2CCNCC2)ncn1
InChIInChI=1S/C9H11N5/c10-6-8-5-9(13-7-12-8)14-3-1-11-2-4-14/h5,7,11H,1-4H2
InChIKeyZOBIWQYUBBCKGJ-UHFFFAOYSA-N
XLogP-0.24
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-piperazin-1-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-piperazin-1-ylpyrimidine-4-carbonitrile (CID 126980969) is 6-piperazin-1-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-piperazin-1-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-piperazin-1-ylpyrimidine-4-carbonitrile is N#Cc1cc(N2CCNCC2)ncn1.
What is the InChIKey of 6-piperazin-1-ylpyrimidine-4-carbonitrile?
The InChIKey is ZOBIWQYUBBCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c10-6-8-5-9(13-7-12-8)14-3-1-11-2-4-14/h5,7,11H,1-4H2.
What are the key properties of 6-piperazin-1-ylpyrimidine-4-carbonitrile?
6-piperazin-1-ylpyrimidine-4-carbonitrile has a molecular weight of 189.22 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperazin-1-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 126980969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).