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

C17H21N3 — CID 116897977

IUPAC2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H21N3/c1-17(2,11-18)16-19-9-8-15(20-16)14-7-6-12-4-3-5-13(12)10-14/h6-10H,3-5,11,18H2,1-2H3
InChIKeyQTZSUCNDACAMGL-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.87
Rot. Bonds3

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

2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine (PubChem CID 116897977) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
PubChem CID116897977
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
SMILESCC(C)(CN)c1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C17H21N3/c1-17(2,11-18)16-19-9-8-15(20-16)14-7-6-12-4-3-5-13(12)10-14/h6-10H,3-5,11,18H2,1-2H3
InChIKeyQTZSUCNDACAMGL-UHFFFAOYSA-N
XLogP2.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
2-methyl-2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-1-amine
CID 116897983
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
3-methyl-3-(4-pyridin-4-ylpyrimidin-2-yl)butan-1-amine
CID 116898394
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
6-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 61025762
[6-(2,3-dihydro-1H-inden-5-yl)pyridazin-3-yl]methanamine
CID 82287618
2-(2,3-dihydro-1H-inden-5-yl)pyrazine
CID 141313830
3-[4-(2,3-dihydro-1H-inden-5-yl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892881

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine (CID 116897977) is 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine is CC(C)(CN)c1nccc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
The InChIKey is QTZSUCNDACAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-17(2,11-18)16-19-9-8-15(20-16)14-7-6-12-4-3-5-13(12)10-14/h6-10H,3-5,11,18H2,1-2H3.
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine?
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine has a molecular weight of 267.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116897977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).