1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one

C11H16N2O2 — CID 66332481

IUPAC1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one
SMILESCOc1cc(CC(=O)C(C)C)nc(C)n1
InChIInChI=1S/C11H16N2O2/c1-7(2)10(14)5-9-6-11(15-4)13-8(3)12-9/h6-7H,5H2,1-4H3
InChIKeyZMYVLLRMWIZYGT-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.56
Rot. Bonds4

About 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one

1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one (PubChem CID 66332481) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one
PubChem CID66332481
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one
SMILESCOc1cc(CC(=O)C(C)C)nc(C)n1
InChIInChI=1S/C11H16N2O2/c1-7(2)10(14)5-9-6-11(15-4)13-8(3)12-9/h6-7H,5H2,1-4H3
InChIKeyZMYVLLRMWIZYGT-UHFFFAOYSA-N
XLogP1.56
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-6-(methoxymethyl)-2-methylpyrimidine
CID 13153425
3-(6-methoxy-2-methylpyrimidin-4-yl)-2-methylpropan-1-amine
CID 83847571
2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
CID 126973200
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66334072
methyl 2-[4-(methoxymethyl)-6-(3-methyl-2-oxobutyl)-2-pyridinyl]acetate
CID 90892317
2-[(6-methoxy-2-methylpyrimidin-4-yl)-methylamino]acetic acid
CID 66332249
N-(2-chloropropyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66332895
3-[(6-methoxy-2-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 115427635
N-(2,3-dimethylbutyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66325089
4-(bromomethyl)-6-methoxy-2-methylpyridine-3-carboxylic acid
CID 156632337
3-amino-2-(6-methoxy-2-methylpyrimidin-4-yl)propan-1-ol
CID 66331263
2-(6-methoxy-2-propan-2-ylpyrimidin-4-yl)acetaldehyde
CID 83878785

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one?
The IUPAC name of 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one (CID 66332481) is 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one?
The canonical SMILES for 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one is COc1cc(CC(=O)C(C)C)nc(C)n1.
What is the InChIKey of 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one?
The InChIKey is ZMYVLLRMWIZYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)10(14)5-9-6-11(15-4)13-8(3)12-9/h6-7H,5H2,1-4H3.
What are the key properties of 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one?
1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2-methylpyrimidin-4-yl)-3-methylbutan-2-one is sourced from PubChem (CID 66332481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).