2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile

C12H11N5 — CID 73439061

IUPAC2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1ncc(C#N)c(-c2ccccn2)n1
InChIInChI=1S/C12H11N5/c1-17(2)12-15-8-9(7-13)11(16-12)10-5-3-4-6-14-10/h3-6,8H,1-2H3
InChIKeyPGUBGHYRUABWIH-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.48
Rot. Bonds2

About 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile

2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile (PubChem CID 73439061) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile
PubChem CID73439061
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile
SMILESCN(C)c1ncc(C#N)c(-c2ccccn2)n1
InChIInChI=1S/C12H11N5/c1-17(2)12-15-8-9(7-13)11(16-12)10-5-3-4-6-14-10/h3-6,8H,1-2H3
InChIKeyPGUBGHYRUABWIH-UHFFFAOYSA-N
XLogP1.48
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile (CID 73439061) is 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile is CN(C)c1ncc(C#N)c(-c2ccccn2)n1.
What is the InChIKey of 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile?
The InChIKey is PGUBGHYRUABWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-17(2)12-15-8-9(7-13)11(16-12)10-5-3-4-6-14-10/h3-6,8H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile?
2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-pyridin-2-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 73439061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).