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

Name: 2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₆N₄ — CID 107545070

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
PubChem CID	107545070
Molecular Formula	C₁₂H₁₆N₄
Molecular Weight	216.29 g/mol
Exact Mass	216.14
IUPAC Name	2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
SMILES	CCC1CCC(C)N1c1nccc(C#N)n1
InChI	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
InChIKey	ZCBAUVFBDBJSFL-UHFFFAOYSA-N
XLogP	2.12
TPSA	52.81 Å²
H-Bond Donors
H-Bond Acceptors	4
Rotatable Bonds	2
Heavy Atoms	16
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	216.29
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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).

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Sources

PubChem CID 107545070 — identifiers, structure, computed properties (public domain)

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