1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile

C13H14N6 — CID 146106492

IUPAC1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C13H14N6/c14-7-11-2-1-4-18(8-11)12-6-13(17-9-16-12)19-5-3-15-10-19/h3,5-6,9-11H,1-2,4,8H2
InChIKeyWUKAPRIAVVYFHU-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.40
Rot. Bonds2

About 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile

1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile (PubChem CID 146106492) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
PubChem CID146106492
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile
SMILESN#CC1CCCN(c2cc(-n3ccnc3)ncn2)C1
InChIInChI=1S/C13H14N6/c14-7-11-2-1-4-18(8-11)12-6-13(17-9-16-12)19-5-3-15-10-19/h3,5-6,9-11H,1-2,4,8H2
InChIKeyWUKAPRIAVVYFHU-UHFFFAOYSA-N
XLogP1.40
TPSA70.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile?
The IUPAC name of 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile (CID 146106492) is 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile.
What is the SMILES notation for 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile?
The canonical SMILES for 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile is N#CC1CCCN(c2cc(-n3ccnc3)ncn2)C1.
What is the InChIKey of 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile?
The InChIKey is WUKAPRIAVVYFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c14-7-11-2-1-4-18(8-11)12-6-13(17-9-16-12)19-5-3-15-10-19/h3,5-6,9-11H,1-2,4,8H2.
What are the key properties of 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile?
1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile has a molecular weight of 254.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyrimidin-4-yl)piperidine-3-carbonitrile is sourced from PubChem (CID 146106492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).