N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine

C16H18N4 — CID 66409737

IUPACN-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncccn2)c2ccccc12
InChIInChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-16-18-8-5-9-19-16)15-7-4-3-6-14(13)15/h3-9,11,17H,2,10,12H2,1H3
InChIKeyIWOBFFBFYVKSPY-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.59
Rot. Bonds5

About N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine

N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine (PubChem CID 66409737) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
PubChem CID66409737
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine
SMILESCCNCc1cn(Cc2ncccn2)c2ccccc12
InChIInChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-16-18-8-5-9-19-16)15-7-4-3-6-14(13)15/h3-9,11,17H,2,10,12H2,1H3
InChIKeyIWOBFFBFYVKSPY-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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methyl]ethanamine
CID 66409730
N-[[1-(2-pyridin-2-ylethyl)indol-3-yl]methyl]ethanamine
CID 66409305
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
1-[1-(pyrimidin-2-ylmethyl)indol-3-yl]propan-2-amine
CID 66404853
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955
N-[[1-[(5-bromo-3-pyridinyl)methyl]indol-3-yl]methyl]ethanamine
CID 104801202
2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409295
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575
N-[[1-(pyridin-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66410832
N'-[[1-[(2-chlorophenyl)methyl]indol-3-yl]methyl]-N-ethylpropane-1,3-diamine
CID 17215780
N,N-diethyl-2-[3-(ethylaminomethyl)indol-1-yl]acetamide
CID 66409526
N-methyl-1-[1-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407767

Frequently Asked Questions

What is the IUPAC name of N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine (CID 66409737) is N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine is CCNCc1cn(Cc2ncccn2)c2ccccc12.
What is the InChIKey of N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine?
The InChIKey is IWOBFFBFYVKSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-2-17-10-13-11-20(12-16-18-8-5-9-19-16)15-7-4-3-6-14(13)15/h3-9,11,17H,2,10,12H2,1H3.
What are the key properties of N-[[1-(pyrimidin-2-ylmethyl)indol-3-yl]methyl]ethanamine?
N-[[1-(pyrimidin-2-ylmethyl)indol-3-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-3-yl]methyl]ethanamine is sourced from PubChem (CID 66409737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).