6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile

C13H17N3 — CID 121206712

IUPAC6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(CCC2CCCC2)n1
InChIInChI=1S/C13H17N3/c1-10-15-12(8-13(9-14)16-10)7-6-11-4-2-3-5-11/h8,11H,2-7H2,1H3
InChIKeyYPJGWURUBLTKNT-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.78
Rot. Bonds3

About 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile

6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile (PubChem CID 121206712) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
PubChem CID121206712
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile
SMILESCc1nc(C#N)cc(CCC2CCCC2)n1
InChIInChI=1S/C13H17N3/c1-10-15-12(8-13(9-14)16-10)7-6-11-4-2-3-5-11/h8,11H,2-7H2,1H3
InChIKeyYPJGWURUBLTKNT-UHFFFAOYSA-N
XLogP2.78
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile?
The IUPAC name of 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile (CID 121206712) is 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile is Cc1nc(C#N)cc(CCC2CCCC2)n1.
What is the InChIKey of 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile?
The InChIKey is YPJGWURUBLTKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10-15-12(8-13(9-14)16-10)7-6-11-4-2-3-5-11/h8,11H,2-7H2,1H3.
What are the key properties of 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile?
6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile has a molecular weight of 215.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopentylethyl)-2-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 121206712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).