1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone

C16H12N2O2 — CID 117061432

IUPAC1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(Oc2ccncn2)ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c1-11(19)16-13-5-3-2-4-12(13)6-7-14(16)20-15-8-9-17-10-18-15/h2-10H,1H3
InChIKeyCKVMJNWHCJKFJI-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone

1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone (PubChem CID 117061432) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone
PubChem CID117061432
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone
SMILESCC(=O)c1c(Oc2ccncn2)ccc2ccccc12
InChIInChI=1S/C16H12N2O2/c1-11(19)16-13-5-3-2-4-12(13)6-7-14(16)20-15-8-9-17-10-18-15/h2-10H,1H3
InChIKeyCKVMJNWHCJKFJI-UHFFFAOYSA-N
XLogP3.62
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-bromonaphthalen-2-yl)oxypyrimidine
CID 61252042
1-[2-(2-hydroxyethoxy)naphthalen-1-yl]ethanone;1-(2-hydroxynaphthalen-1-yl)ethanone
CID 157383372
2-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
CID 142783290
5-bromo-2-pyrimidin-4-yloxybenzoic acid
CID 107730200
[(1R)-1-pyridin-4-ylethyl] 2-ethoxynaphthalene-1-carboxylate
CID 11472701
sodium;hydride;pyrimidin-4-yl acetate
CID 175470054
1-[1-(pyridin-4-ylmethoxy)naphthalen-2-yl]ethanone
CID 43474275
(3-amino-4-pyridinyl)-(2-methoxynaphthalen-1-yl)methanone
CID 53414360
2-methoxynaphthalene-1-carbonyl chloride
CID 3016662
naphthalen-1-yl-(3-pyrimidin-4-yloxypyrrolidin-1-yl)methanone
CID 122160882
(1-acetylnaphthalen-2-yl) 4-methylpiperidine-1-carboxylate
CID 11515131
methyl 2-(2,3-dimethylbut-2-enoxy)naphthalene-1-carboxylate
CID 102438824

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone (CID 117061432) is 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone is CC(=O)c1c(Oc2ccncn2)ccc2ccccc12.
What is the InChIKey of 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone?
The InChIKey is CKVMJNWHCJKFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-11(19)16-13-5-3-2-4-12(13)6-7-14(16)20-15-8-9-17-10-18-15/h2-10H,1H3.
What are the key properties of 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone?
1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone has a molecular weight of 264.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrimidin-4-yloxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 117061432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).