2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile

C15H13N3 — CID 116833439

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
SMILESN#CC(c1ccc2c(c1)CCC2)c1ncccn1
InChIInChI=1S/C15H13N3/c16-10-14(15-17-7-2-8-18-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9,14H,1,3-4H2
InChIKeyAPJWXSCOFSRHCJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.62
Rot. Bonds2

About 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile

2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile (PubChem CID 116833439) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
PubChem CID116833439
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
SMILESN#CC(c1ccc2c(c1)CCC2)c1ncccn1
InChIInChI=1S/C15H13N3/c16-10-14(15-17-7-2-8-18-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9,14H,1,3-4H2
InChIKeyAPJWXSCOFSRHCJ-UHFFFAOYSA-N
XLogP2.62
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833129
2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833250
2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116834286
2-(4-ethylphenyl)-2-pyrimidin-2-ylacetonitrile
CID 116833422
2-(2,3-dihydro-1H-inden-5-yl)pentanenitrile
CID 82076345
2,3-dihydro-1H-inden-5-ylmethanediamine
CID 116939135
2-(2,3-dihydro-1H-inden-5-yl)-2-pyridin-2-ylacetic acid
CID 116824679
2-[2,3-dihydro-1H-inden-5-yl(methylamino)methyl]butanenitrile
CID 116960523
2-[2,3-dihydro-1H-inden-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913794
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
3-amino-3-(2,3-dihydro-1H-inden-5-yl)-2,2-dimethylpropanenitrile
CID 116940358
2,3-dihydro-1H-inden-5-yl(5,6,7,8-tetrahydroquinolin-8-yl)methanamine
CID 105007339

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile (CID 116833439) is 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile is N#CC(c1ccc2c(c1)CCC2)c1ncccn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile?
The InChIKey is APJWXSCOFSRHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c16-10-14(15-17-7-2-8-18-15)13-6-5-11-3-1-4-12(11)9-13/h2,5-9,14H,1,3-4H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile?
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile has a molecular weight of 235.29 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile is sourced from PubChem (CID 116833439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).