1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one

C11H16N2O2 — CID 63199342

IUPAC1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
SMILESCOc1ccnc(CC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)8(14)7-9-12-6-5-10(13-9)15-4/h5-6H,7H2,1-4H3
InChIKeyDYGZJKHZORYZTE-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.64
Rot. Bonds3

About 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one

1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one (PubChem CID 63199342) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one.

Molecular Properties

Compound Name1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
PubChem CID63199342
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one
SMILESCOc1ccnc(CC(=O)C(C)(C)C)n1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)8(14)7-9-12-6-5-10(13-9)15-4/h5-6H,7H2,1-4H3
InChIKeyDYGZJKHZORYZTE-UHFFFAOYSA-N
XLogP1.64
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one?
The IUPAC name of 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one (CID 63199342) is 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one.
What is the SMILES notation for 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one?
The canonical SMILES for 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one is COc1ccnc(CC(=O)C(C)(C)C)n1.
What is the InChIKey of 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one?
The InChIKey is DYGZJKHZORYZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)8(14)7-9-12-6-5-10(13-9)15-4/h5-6H,7H2,1-4H3.
What are the key properties of 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one?
1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxypyrimidin-2-yl)-3,3-dimethylbutan-2-one is sourced from PubChem (CID 63199342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).