1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone

C11H16N4O2 — CID 73439360

IUPAC1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1nccc(C2CN(C(=O)CO)C2)n1
InChIInChI=1S/C11H16N4O2/c1-14(2)11-12-4-3-9(13-11)8-5-15(6-8)10(17)7-16/h3-4,8,16H,5-7H2,1-2H3
InChIKeyIRJKHJRXKPDPKY-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.54
Rot. Bonds3

About 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone

1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone (PubChem CID 73439360) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
PubChem CID73439360
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone
SMILESCN(C)c1nccc(C2CN(C(=O)CO)C2)n1
InChIInChI=1S/C11H16N4O2/c1-14(2)11-12-4-3-9(13-11)8-5-15(6-8)10(17)7-16/h3-4,8,16H,5-7H2,1-2H3
InChIKeyIRJKHJRXKPDPKY-UHFFFAOYSA-N
XLogP-0.54
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 3-(2-chloropyrimidin-4-yl)azetidine-1-carboxylate
CID 118464538
1-[4-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95840961
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110249232
2-[3-(2-Aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110254170
1-[3-[2-(Dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-hydroxyethanone
CID 110269090
2-(2-methoxyethoxy)-N-methyl-N-(1-pyrimidin-4-ylethyl)acetamide
CID 91771302
Tert-butyl 3-[6-[2-methoxyethyl(methyl)amino]pyrimidin-4-yl]azetidine-1-carboxylate
CID 126836767
tert-Butyl 3-(2-aminopyrimidin-4-yl)azetidine-1-carboxylate
CID 136575896
1-(4-tert-butylpyrimidin-2-yl)-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 136588992
2,2,2-Trifluoro-1-[3-(pyrimidin-4-ylmethyl)azetidin-1-yl]ethanone
CID 162082270
1-[3-(2-Chloropyrimidin-4-yl)azetidin-1-yl]-2,2,2-trifluoroethanone
CID 176805392
2,2,2-Trifluoroethyl 3-(2-aminopyrimidin-4-yl)azetidine-1-carboxylate
CID 138009384

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone?
The IUPAC name of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone (CID 73439360) is 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone is CN(C)c1nccc(C2CN(C(=O)CO)C2)n1.
What is the InChIKey of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone?
The InChIKey is IRJKHJRXKPDPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14(2)11-12-4-3-9(13-11)8-5-15(6-8)10(17)7-16/h3-4,8,16H,5-7H2,1-2H3.
What are the key properties of 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone?
1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone has a molecular weight of 236.27 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)pyrimidin-4-yl]azetidin-1-yl]-2-hydroxyethanone is sourced from PubChem (CID 73439360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).