2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one

C17H18N2O — CID 154501278

IUPAC2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCc1cc(C2(C)CCc3ccccc3C2=O)nc(C)n1
InChIInChI=1S/C17H18N2O/c1-11-10-15(19-12(2)18-11)17(3)9-8-13-6-4-5-7-14(13)16(17)20/h4-7,10H,8-9H2,1-3H3
InChIKeyWEVVQBVNWBZGBM-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.18
Rot. Bonds1

About 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one

2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one (PubChem CID 154501278) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
PubChem CID154501278
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one
SMILESCc1cc(C2(C)CCc3ccccc3C2=O)nc(C)n1
InChIInChI=1S/C17H18N2O/c1-11-10-15(19-12(2)18-11)17(3)9-8-13-6-4-5-7-14(13)16(17)20/h4-7,10H,8-9H2,1-3H3
InChIKeyWEVVQBVNWBZGBM-UHFFFAOYSA-N
XLogP3.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one (CID 154501278) is 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one is Cc1cc(C2(C)CCc3ccccc3C2=O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
The InChIKey is WEVVQBVNWBZGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-10-15(19-12(2)18-11)17(3)9-8-13-6-4-5-7-14(13)16(17)20/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one?
2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one has a molecular weight of 266.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)-2-methyl-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 154501278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).