1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone

C15H16N2O2 — CID 116832844

IUPAC1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)Cc1ccncn1
InChIInChI=1S/C15H16N2O2/c1-10-6-11(2)15(14(7-10)19-3)13(18)8-12-4-5-16-9-17-12/h4-7,9H,8H2,1-3H3
InChIKeyBJBKSGPGVXUTPU-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.53
Rot. Bonds4

About 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone

1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone (PubChem CID 116832844) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
PubChem CID116832844
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone
SMILESCOc1cc(C)cc(C)c1C(=O)Cc1ccncn1
InChIInChI=1S/C15H16N2O2/c1-10-6-11(2)15(14(7-10)19-3)13(18)8-12-4-5-16-9-17-12/h4-7,9H,8H2,1-3H3
InChIKeyBJBKSGPGVXUTPU-UHFFFAOYSA-N
XLogP2.53
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-3-pyridin-4-ylpropan-1-one
CID 106681967
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylethanone
CID 116832795
1-(2-methoxy-4,6-dimethylphenyl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 106680034
2-(4-fluorophenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106679903
(3-ethyl-4-pyridinyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106680064
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
1-(4-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832845
2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 116826336
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
1-(5-tert-butyl-2-methylphenyl)-2-pyrimidin-4-ylethanone
CID 116832806

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone?
The IUPAC name of 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone (CID 116832844) is 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone.
What is the SMILES notation for 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone?
The canonical SMILES for 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone is COc1cc(C)cc(C)c1C(=O)Cc1ccncn1.
What is the InChIKey of 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone?
The InChIKey is BJBKSGPGVXUTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-6-11(2)15(14(7-10)19-3)13(18)8-12-4-5-16-9-17-12/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone?
1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone has a molecular weight of 256.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4,6-dimethylphenyl)-2-pyrimidin-4-ylethanone is sourced from PubChem (CID 116832844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).