(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol

C17H16N2O2 — CID 63365341

IUPAC(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1ncccn1
InChIInChI=1S/C17H16N2O2/c1-12(20)14-8-7-13-5-2-3-6-15(13)17(14)21-11-16-18-9-4-10-19-16/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyNLOCRYIAUIZZBY-LBPRGKRZSA-N
MW280.33 g/mol
LogP3.26
Rot. Bonds4

About (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol

(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol (PubChem CID 63365341) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
PubChem CID63365341
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol
SMILESC[C@H](O)c1ccc2ccccc2c1OCc1ncccn1
InChIInChI=1S/C17H16N2O2/c1-12(20)14-8-7-13-5-2-3-6-15(13)17(14)21-11-16-18-9-4-10-19-16/h2-10,12,20H,11H2,1H3/t12-/m0/s1
InChIKeyNLOCRYIAUIZZBY-LBPRGKRZSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol?
The IUPAC name of (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol (CID 63365341) is (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol?
The canonical SMILES for (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol is C[C@H](O)c1ccc2ccccc2c1OCc1ncccn1.
What is the InChIKey of (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol?
The InChIKey is NLOCRYIAUIZZBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12(20)14-8-7-13-5-2-3-6-15(13)17(14)21-11-16-18-9-4-10-19-16/h2-10,12,20H,11H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol?
(1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol has a molecular weight of 280.33 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-(pyrimidin-2-ylmethoxy)naphthalen-2-yl]ethanol is sourced from PubChem (CID 63365341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).