1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone

C16H16N2O — CID 116901436

IUPAC1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H16N2O/c1-11(19)16-17-9-8-15(18-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3
InChIKeyALTKIBCTOTUBJU-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.22
Rot. Bonds2

About 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone

1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone (PubChem CID 116901436) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
PubChem CID116901436
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone
SMILESCC(=O)c1nccc(-c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C16H16N2O/c1-11(19)16-17-9-8-15(18-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3
InChIKeyALTKIBCTOTUBJU-UHFFFAOYSA-N
XLogP3.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidine-2-carboxylic acid
CID 116899724
1-[4-(3,4-dichlorophenyl)pyrimidin-2-yl]ethanone
CID 116901514
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-amine
CID 116900518
1-[4-(3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901517
1-[4-(4-methoxy-3-methylphenyl)pyrimidin-2-yl]ethanone
CID 116901442
N-[[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]methyl]ethanamine
CID 116898504
[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]hydrazine
CID 116904113
1-(4-thiophen-3-ylpyrimidin-2-yl)ethanone
CID 168944438
2-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]-2-methylpropan-1-amine
CID 116897977
ethyl 2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carboxylate
CID 71653208
1-[4-(3,4-dihydro-2H-chromen-6-yl)-6-methylpyrimidin-2-yl]ethanone
CID 116895365
3-[4-(2,3-dihydro-1H-inden-5-yl)pyrimidin-2-yl]propanenitrile
CID 116901099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone?
The IUPAC name of 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone (CID 116901436) is 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone?
The canonical SMILES for 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone is CC(=O)c1nccc(-c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone?
The InChIKey is ALTKIBCTOTUBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11(19)16-17-9-8-15(18-16)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3.
What are the key properties of 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone?
1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone has a molecular weight of 252.32 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrimidin-2-yl]ethanone is sourced from PubChem (CID 116901436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).