2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile

C13H13N5 — CID 143015963

IUPAC2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
SMILESN#CCc1ccnc(NCCc2ccccn2)n1
InChIInChI=1S/C13H13N5/c14-7-4-12-6-10-17-13(18-12)16-9-5-11-3-1-2-8-15-11/h1-3,6,8,10H,4-5,9H2,(H,16,17,18)
InChIKeyYYACFMBKFYBEJF-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.59
Rot. Bonds5

About 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile

2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile (PubChem CID 143015963) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
PubChem CID143015963
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
SMILESN#CCc1ccnc(NCCc2ccccn2)n1
InChIInChI=1S/C13H13N5/c14-7-4-12-6-10-17-13(18-12)16-9-5-11-3-1-2-8-15-11/h1-3,6,8,10H,4-5,9H2,(H,16,17,18)
InChIKeyYYACFMBKFYBEJF-UHFFFAOYSA-N
XLogP1.59
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
2-(2-pyridin-2-ylethylamino)benzene-1,3-dicarbonitrile
CID 133498376
4,6-dichloro-N-(2-pyridin-2-ylethyl)-1,3,5-triazin-2-amine
CID 58508167
2-(1,3-benzoxazol-2-yl)-2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile
CID 91223144
3,5-difluoro-4-(2-pyridin-2-ylethylamino)benzonitrile
CID 78981152
N-(2-pyridin-2-ylethyl)thieno[2,3-d]pyrimidin-2-amine
CID 114273415
3-amino-2-(2-pyridin-2-ylethylamino)pyridine-4-carbonitrile
CID 82816791
1-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50954135
3-(2-pyridin-2-ylethylamino)phenol
CID 15597531
4-(4-cyanophenyl)-2-(2-pyridin-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 150419057
5-bromo-2-N-propyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80765776
2-cyano-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 24710652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The IUPAC name of 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile (CID 143015963) is 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The canonical SMILES for 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile is N#CCc1ccnc(NCCc2ccccn2)n1.
What is the InChIKey of 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
The InChIKey is YYACFMBKFYBEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c14-7-4-12-6-10-17-13(18-12)16-9-5-11-3-1-2-8-15-11/h1-3,6,8,10H,4-5,9H2,(H,16,17,18).
What are the key properties of 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile?
2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile has a molecular weight of 239.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pyridin-2-ylethylamino)pyrimidin-4-yl]acetonitrile is sourced from PubChem (CID 143015963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).