1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one

C11H16N2O3 — CID 101460513

IUPAC1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one
SMILESCOc1ncc(C(=O)C(C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12-10(16-5)13-9(7)15-4/h6H,1-5H3
InChIKeyNVCQNNBJRNWINT-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.72
Rot. Bonds3

About 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one

1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one (PubChem CID 101460513) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one
PubChem CID101460513
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one
SMILESCOc1ncc(C(=O)C(C)(C)C)c(OC)n1
InChIInChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12-10(16-5)13-9(7)15-4/h6H,1-5H3
InChIKeyNVCQNNBJRNWINT-UHFFFAOYSA-N
XLogP1.72
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Butoxypyrido[2,3-d]pyrimidin-5-one
CID 162540281
1-[4-Methoxy-2-(trifluoromethyl)pyrimidin-5-yl]ethanone
CID 83889197
1-(2,4-Dimethoxypyrimidin-5-yl)-2,2,2-trifluoroethanone
CID 177591020
2,2-Difluoro-1-(4-methoxypyrimidin-5-yl)ethanone
CID 177817340
2,4-Dimethoxy-5-propylpyrimidine
CID 14135536
4-(2,4-Dimethoxypyrimidin-5-yl)butan-2-one
CID 15716996
4-Methoxy-5-propylpyrimidine
CID 57057784
3-(4-Methoxypyrimidin-5-yl)butan-2-one
CID 57907394
2,4-Dimethoxy-5-(2-methylpropyl)pyrimidine
CID 59569180
1-(4-Methoxy-2-methylpyrimidin-5-yl)ethanone
CID 82652517
1-(2-Tert-butyl-4-methoxypyrimidin-5-yl)ethanone
CID 82659862
1-(2-Chloro-4-methoxypyrimidin-5-yl)ethanone
CID 92133869

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one (CID 101460513) is 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one is COc1ncc(C(=O)C(C)(C)C)c(OC)n1.
What is the InChIKey of 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NVCQNNBJRNWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,3)8(14)7-6-12-10(16-5)13-9(7)15-4/h6H,1-5H3.
What are the key properties of 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one?
1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one has a molecular weight of 224.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxypyrimidin-5-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 101460513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).