1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine

C17H17N3 — CID 115530277

IUPAC1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
SMILESCc1nccc(C(N)Cc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-12-19-10-9-17(20-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,16H,11,18H2,1H3
InChIKeyMNNTTYRHUTVANV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine

1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine (PubChem CID 115530277) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound Name1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
PubChem CID115530277
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
SMILESCc1nccc(C(N)Cc2cccc3ccccc23)n1
InChIInChI=1S/C17H17N3/c1-12-19-10-9-17(20-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,16H,11,18H2,1H3
InChIKeyMNNTTYRHUTVANV-UHFFFAOYSA-N
XLogP3.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
1-(2-methylpyrimidin-4-yl)-2-pyridin-4-ylethanamine
CID 115530469
2-(3-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
2-naphthalen-1-yl-1-pyridin-4-ylethanamine
CID 61079955
2-(4-iodophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530048
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 102619243
1-(3,5-dimethylphenyl)-2-naphthalen-1-ylethanamine
CID 63527361
1-(3-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079024
1-(5-methylfuran-2-yl)-2-naphthalen-1-ylethanamine
CID 61079585
(1S)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941101
(1R)-3,3,3-trifluoro-1-(2-methylpyrimidin-4-yl)propan-1-amine
CID 104941079

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine (CID 115530277) is 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine is Cc1nccc(C(N)Cc2cccc3ccccc23)n1.
What is the InChIKey of 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is MNNTTYRHUTVANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-19-10-9-17(20-12)16(18)11-14-7-4-6-13-5-2-3-8-15(13)14/h2-10,16H,11,18H2,1H3.
What are the key properties of 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine?
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 263.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 115530277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).