4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile

C20H30N4 — CID 11669355

IUPAC4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(CCCN2CCCCC2)cc(C2CCCCCC2)n1
InChIInChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2
InChIKeyUTNIKRVBYGTXDR-UHFFFAOYSA-N
MW326.49 g/mol
LogP4.20
Rot. Bonds5

About 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile

4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile (PubChem CID 11669355) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
PubChem CID11669355
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(CCCN2CCCCC2)cc(C2CCCCCC2)n1
InChIInChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2
InChIKeyUTNIKRVBYGTXDR-UHFFFAOYSA-N
XLogP4.20
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile (CID 11669355) is 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile is N#Cc1nc(CCCN2CCCCC2)cc(C2CCCCCC2)n1.
What is the InChIKey of 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile?
The InChIKey is UTNIKRVBYGTXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c21-16-20-22-18(11-8-14-24-12-6-3-7-13-24)15-19(23-20)17-9-4-1-2-5-10-17/h15,17H,1-14H2.
What are the key properties of 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile?
4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile has a molecular weight of 326.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-6-(3-piperidin-1-ylpropyl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 11669355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).