2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

C16H15N3 — CID 116833250

IUPAC2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1ccc2c(c1)CCCC2)c1ccncn1
InChIInChI=1S/C16H15N3/c17-10-15(16-7-8-18-11-19-16)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,15H,1-4H2
InChIKeyFXPZTSIJPVBBBL-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.01
Rot. Bonds2

About 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (PubChem CID 116833250) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
PubChem CID116833250
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1ccc2c(c1)CCCC2)c1ccncn1
InChIInChI=1S/C16H15N3/c17-10-15(16-7-8-18-11-19-16)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,15H,1-4H2
InChIKeyFXPZTSIJPVBBBL-UHFFFAOYSA-N
XLogP3.01
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-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-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439
2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116834286
2-(5-bromo-2-pyridinyl)-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetonitrile
CID 69340143
2-(4-methoxy-2,5-dimethylphenyl)-2-pyrimidin-4-ylacetonitrile
CID 116833262
2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetic acid
CID 116824978
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
N-methyl-2-pyridin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 116824902
N,N'-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanediamine
CID 116954289
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
6-[bromo-(1-methylcyclohexyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 106828477

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The IUPAC name of 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (CID 116833250) is 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is N#CC(c1ccc2c(c1)CCCC2)c1ccncn1.
What is the InChIKey of 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The InChIKey is FXPZTSIJPVBBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-10-15(16-7-8-18-11-19-16)14-6-5-12-3-1-2-4-13(12)9-14/h5-9,11,15H,1-4H2.
What are the key properties of 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is sourced from PubChem (CID 116833250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).