2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol

C17H16N2O2 — CID 115506156

IUPAC2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
SMILESCOc1ccc2cccc(CC(O)c3cncnc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-21-15-6-5-12-3-2-4-13(16(12)8-15)7-17(20)14-9-18-11-19-10-14/h2-6,8-11,17,20H,7H2,1H3
InChIKeyJZCQHIPMVCZCOC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.91
Rot. Bonds4

About 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol

2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol (PubChem CID 115506156) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol.

Molecular Properties

Compound Name2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
PubChem CID115506156
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
SMILESCOc1ccc2cccc(CC(O)c3cncnc3)c2c1
InChIInChI=1S/C17H16N2O2/c1-21-15-6-5-12-3-2-4-13(16(12)8-15)7-17(20)14-9-18-11-19-10-14/h2-6,8-11,17,20H,7H2,1H3
InChIKeyJZCQHIPMVCZCOC-UHFFFAOYSA-N
XLogP2.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
CID 115506132
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(7-methoxynaphthalen-1-yl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 115506143
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270
1-cyclopropyl-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506198
[2-(7-methoxynaphthalen-1-yl)-1-thiophen-3-ylethyl]hydrazine
CID 105260315
1-(7-methoxynaphthalen-1-yl)-3-propan-2-yloxypropan-2-amine
CID 115506207
[1-(7-methoxynaphthalen-1-yl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105260340
[5-methoxy-1-(7-methoxynaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105260335
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol?
The IUPAC name of 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol (CID 115506156) is 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol.
What is the SMILES notation for 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol?
The canonical SMILES for 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol is COc1ccc2cccc(CC(O)c3cncnc3)c2c1.
What is the InChIKey of 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol?
The InChIKey is JZCQHIPMVCZCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-15-6-5-12-3-2-4-13(16(12)8-15)7-17(20)14-9-18-11-19-10-14/h2-6,8-11,17,20H,7H2,1H3.
What are the key properties of 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol?
2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol has a molecular weight of 280.33 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol is sourced from PubChem (CID 115506156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).