N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine

C16H18N4 — CID 102914224

IUPACN-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(Cc3ncccn3)c12
InChIInChI=1S/C16H18N4/c1-2-17-11-14-6-3-5-13-7-10-20(16(13)14)12-15-18-8-4-9-19-15/h3-10,17H,2,11-12H2,1H3
InChIKeyCLOKNIOCPMENLI-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine

N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine (PubChem CID 102914224) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
PubChem CID102914224
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
SMILESCCNCc1cccc2ccn(Cc3ncccn3)c12
InChIInChI=1S/C16H18N4/c1-2-17-11-14-6-3-5-13-7-10-20(16(13)14)12-15-18-8-4-9-19-15/h3-10,17H,2,11-12H2,1H3
InChIKeyCLOKNIOCPMENLI-UHFFFAOYSA-N
XLogP2.59
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]indol-7-yl]methyl]ethanamine
CID 102914218
N-[[1-(pyridin-2-ylmethyl)indol-7-yl]methyl]propan-1-amine
CID 102914247
N-[[1-(2-ethylsulfonylethyl)indol-7-yl]methyl]ethanamine
CID 102914060
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
N-ethyl-2-[7-(ethylaminomethyl)indol-1-yl]acetamide
CID 102914190
N-[[1-(2-piperidin-1-ylethyl)indol-7-yl]methyl]ethanamine
CID 102914153
3-[7-(ethylaminomethyl)indol-1-yl]-2,2-dimethylpropanoic acid
CID 102914180
N-[[1-[2-(2-methylpropoxy)ethyl]indol-7-yl]methyl]ethanamine
CID 106455380
N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
CID 66409737
N-ethyl-2-(7-ethylindol-1-yl)ethanamine
CID 62562665
N-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]indol-7-yl]methyl]propan-1-amine
CID 102914308
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine (CID 102914224) is N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine is CCNCc1cccc2ccn(Cc3ncccn3)c12.
What is the InChIKey of N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine?
The InChIKey is CLOKNIOCPMENLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-17-11-14-6-3-5-13-7-10-20(16(13)14)12-15-18-8-4-9-19-15/h3-10,17H,2,11-12H2,1H3.
What are the key properties of N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine?
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine has a molecular weight of 266.35 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine is sourced from PubChem (CID 102914224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).