1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile

C10H13N5 — CID 79086103

IUPAC1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1ncccn1
InChIInChI=1S/C10H13N5/c11-6-9-7-12-4-5-15(9)8-10-13-2-1-3-14-10/h1-3,9,12H,4-5,7-8H2
InChIKeyNABWGNYABMCWGR-UHFFFAOYSA-N
MW203.25 g/mol
LogP-0.23
Rot. Bonds2

About 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile

1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile (PubChem CID 79086103) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
PubChem CID79086103
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1Cc1ncccn1
InChIInChI=1S/C10H13N5/c11-6-9-7-12-4-5-15(9)8-10-13-2-1-3-14-10/h1-3,9,12H,4-5,7-8H2
InChIKeyNABWGNYABMCWGR-UHFFFAOYSA-N
XLogP-0.23
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile (CID 79086103) is 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile is N#CC1CNCCN1Cc1ncccn1.
What is the InChIKey of 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile?
The InChIKey is NABWGNYABMCWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-6-9-7-12-4-5-15(9)8-10-13-2-1-3-14-10/h1-3,9,12H,4-5,7-8H2.
What are the key properties of 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile?
1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile has a molecular weight of 203.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidin-2-ylmethyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79086103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).