(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone

C9H11N3O2 — CID 102922159

IUPAC(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone
SMILESCC1(O)CN(C(=O)c2cncnc2)C1
InChIInChI=1S/C9H11N3O2/c1-9(14)4-12(5-9)8(13)7-2-10-6-11-3-7/h2-3,6,14H,4-5H2,1H3
InChIKeyXYOJDQPUDXGLDM-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.32
Rot. Bonds1

About (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone

(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone (PubChem CID 102922159) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone
PubChem CID102922159
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone
SMILESCC1(O)CN(C(=O)c2cncnc2)C1
InChIInChI=1S/C9H11N3O2/c1-9(14)4-12(5-9)8(13)7-2-10-6-11-3-7/h2-3,6,14H,4-5H2,1H3
InChIKeyXYOJDQPUDXGLDM-UHFFFAOYSA-N
XLogP-0.32
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
CID 114821779
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
(3-hydroxy-3-methylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115875110
(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81323896
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344085
(4-hydroxy-3-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104956560
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 104627474
[(3S)-3-aminopyrrolidin-1-yl]-pyrimidin-5-ylmethanone
CID 102922341

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone (CID 102922159) is (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone is CC1(O)CN(C(=O)c2cncnc2)C1.
What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone?
The InChIKey is XYOJDQPUDXGLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-9(14)4-12(5-9)8(13)7-2-10-6-11-3-7/h2-3,6,14H,4-5H2,1H3.
What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone?
(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone has a molecular weight of 193.21 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone is sourced from PubChem (CID 102922159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).