2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile

C12H16N4 — CID 107545070

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILESCCC1CCC(C)N1c1nccc(C#N)n1
InChIInChI=1S/C12H16N4/c1-3-11-5-4-9(2)16(11)12-14-7-6-10(8-13)15-12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyZCBAUVFBDBJSFL-UHFFFAOYSA-N
MW216.29 g/mol
LogP2.12
Rot. Bonds2

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile

2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile (PubChem CID 107545070) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID107545070
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILESCCC1CCC(C)N1c1nccc(C#N)n1
InChIInChI=1S/C12H16N4/c1-3-11-5-4-9(2)16(11)12-14-7-6-10(8-13)15-12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyZCBAUVFBDBJSFL-UHFFFAOYSA-N
XLogP2.12
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile (CID 107545070) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile is CCC1CCC(C)N1c1nccc(C#N)n1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile?
The InChIKey is ZCBAUVFBDBJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-11-5-4-9(2)16(11)12-14-7-6-10(8-13)15-12/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile?
2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 107545070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).