3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile

C16H15N3 — CID 116901099

IUPAC3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
SMILESN#CCCc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H15N3/c17-9-2-5-16-18-10-8-15(19-16)14-7-6-12-3-1-4-13(12)11-14/h6-8,10-11H,1-5H2
InChIKeyFECZAACTTSZYAV-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.09
Rot. Bonds3

About 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile

3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile (PubChem CID 116901099) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
PubChem CID116901099
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
SMILESN#CCCc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H15N3/c17-9-2-5-16-18-10-8-15(19-16)14-7-6-12-3-1-4-13(12)11-14/h6-8,10-11H,1-5H2
InChIKeyFECZAACTTSZYAV-UHFFFAOYSA-N
XLogP3.09
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile 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

3-[4-(4-bromophenyl)pyrimidin-2-yl]propanenitrile
CID 116901088
3-[4-(4-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901086
3-[4-(4-methoxyphenyl)pyrimidin-2-yl]propanenitrile
CID 116901089
3-[4-(3-fluorophenyl)pyrimidin-2-yl]propanenitrile
CID 116901153
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116897977
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
2-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]acetonitrile
CID 116901038
6-(2,3-dihydro-1H-inden-5-yl)pyridine-3-carbonitrile
CID 82114384
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile?
The IUPAC name of 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile (CID 116901099) is 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile?
The canonical SMILES for 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile is N#CCCc1nccc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile?
The InChIKey is FECZAACTTSZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-9-2-5-16-18-10-8-15(19-16)14-7-6-12-3-1-4-13(12)11-14/h6-8,10-11H,1-5H2.
What are the key properties of 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile?
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile has a molecular weight of 249.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile is sourced from PubChem (CID 116901099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).