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

C16H19N3 — CID 116898504

IUPACN-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H19N3/c1-2-17-11-16-18-9-8-15(19-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3
InChIKeyWQQITPZYLDAXTB-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.74
Rot. Bonds4

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

N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine (PubChem CID 116898504) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
PubChem CID116898504
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
SMILESCCNCc1nccc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C16H19N3/c1-2-17-11-16-18-9-8-15(19-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3
InChIKeyWQQITPZYLDAXTB-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[[4-(3-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898543
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
CID 116901436
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116897977
N-[[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898515
N-[[3-(2,3-dihydro-1H-inden-5-yl)furan-2-yl]methyl]ethanamine
CID 106888690
4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
N-[[4-(2-methylphenyl)pyrimidin-2-yl]methyl]ethanamine
CID 116898542
N-[[3-(2,3-dihydro-1H-inden-5-yl)-4-fluorophenyl]methyl]ethanamine
CID 63427980
N-[[4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62321397

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine (CID 116898504) is N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine is CCNCc1nccc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine?
The InChIKey is WQQITPZYLDAXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-2-17-11-16-18-9-8-15(19-16)14-7-6-12-4-3-5-13(12)10-14/h6-10,17H,2-5,11H2,1H3.
What are the key properties of N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine?
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine has a molecular weight of 253.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 116898504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).