1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone

C8H11N3O — CID 591680

IUPAC1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(C)nc1N
InChIInChI=1S/C8H11N3O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3,(H2,9,10,11)
InChIKeyXOJARYGWVOTDHI-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.88
Rot. Bonds1

About 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone

1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone (PubChem CID 591680) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone
PubChem CID591680
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone
SMILESCC(=O)c1c(C)nc(C)nc1N
InChIInChI=1S/C8H11N3O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3,(H2,9,10,11)
InChIKeyXOJARYGWVOTDHI-UHFFFAOYSA-N
XLogP0.88
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetyl-2,6-dimethyl-4-pyrimidinyl)-2-methylpropanamide
CID 726947
N-(5-acetyl-2,6-dimethyl-4-pyrimidinyl)propanamide
CID 873347
N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)acetamide
CID 1070418
5-Acetyl-2,4-dimethylpyrimidine
CID 91947
5-Acetyl-4-amino-6-methyl-2-(trichloromethyl)pyrimidine
CID 5184324
5-Acetyl-6-amino-2-methyl-4-(trichloromethyl)pyrimidine
CID 3348167
5-Acetyl-6-methyl-4-(trifluoromethyl)pyrimidine
CID 135057158
2-Amino-4,6-dimethylpyrimidine-5-carboxamide
CID 45117332
Pyrimidine, 5-carbamoyl-4,6-dimethyl-2-methylamino-
CID 86181001
5-Acetyl-4-amino-2-(chloromethyl)-6-methylpyrimidine
CID 19578654
1-(2-Amino-4-methyl-6-(methylthio)-5-pyrimidinyl)ethanone
CID 10878101
1-(4-Chloro-2,6-dimethylpyrimidin-5-yl)ethanone
CID 12709743

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone (CID 591680) is 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone is CC(=O)c1c(C)nc(C)nc1N.
What is the InChIKey of 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone?
The InChIKey is XOJARYGWVOTDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-4-7(5(2)12)8(9)11-6(3)10-4/h1-3H3,(H2,9,10,11).
What are the key properties of 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone?
1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-dimethylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 591680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).