1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine

C17H17N3 — CID 62759136

IUPAC1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1cccc2ccccc12
InChIInChI=1S/C17H17N3/c1-13(20-11-14-9-18-12-19-10-14)16-8-4-6-15-5-2-3-7-17(15)16/h2-10,12-13,20H,11H2,1H3
InChIKeyVEUHQJQRJJHFBH-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.48
Rot. Bonds4

About 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine

1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 62759136) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID62759136
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESCC(NCc1cncnc1)c1cccc2ccccc12
InChIInChI=1S/C17H17N3/c1-13(20-11-14-9-18-12-19-10-14)16-8-4-6-15-5-2-3-7-17(15)16/h2-10,12-13,20H,11H2,1H3
InChIKeyVEUHQJQRJJHFBH-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 43178671
(1S)-1-phenyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 78950279
(1R)-1-naphthalen-1-yl-N-[[3-(2-phenylethynyl)phenyl]methyl]ethanamine
CID 59562831
N-[(4-ethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 60590175
(1R)-1-naphthalen-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 70834221
(1R)-N-[(1-benzylpyrazol-4-yl)methyl]-1-naphthalen-1-ylethanamine
CID 31560301
2-[3-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]phenyl]propan-2-amine
CID 70834368
N-[(2-iodophenyl)methyl]-1-naphthalen-1-ylethanamine
CID 68766120
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
1-naphthalen-1-yl-N-[(3-pyridin-2-ylphenyl)methyl]ethanamine
CID 22391282
(1R)-1-naphthalen-1-yl-N-[[3-(2-trimethylsilylethynyl)phenyl]methyl]ethanamine
CID 59562929
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine (CID 62759136) is 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine is CC(NCc1cncnc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is VEUHQJQRJJHFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(20-11-14-9-18-12-19-10-14)16-8-4-6-15-5-2-3-7-17(15)16/h2-10,12-13,20H,11H2,1H3.
What are the key properties of 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine?
1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 62759136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).