4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136979735

IUPAC4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)(C(C)C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(2)11(16)4-14(5-11)9-8(17-3)10(15)13-6-12-9/h6-7,16H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyWENLVKIWYZLARX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.01
Rot. Bonds3

About 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979735) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979735
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CC(O)(C(C)C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-7(2)11(16)4-14(5-11)9-8(17-3)10(15)13-6-12-9/h6-7,16H,4-5H2,1-3H3,(H,12,13,15)
InChIKeyWENLVKIWYZLARX-UHFFFAOYSA-N
XLogP-0.01
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-hydroxy-3-methylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979708
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
2-[4-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanethioamide
CID 136973229
5-methoxy-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973276
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
4-(2-azaspiro[4.4]nonan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 137005106
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
4-[4-(1-aminopropan-2-yl)piperazin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136972830
4-(4-acetylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973295
(3S,4S)-1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 136689834
4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136954394

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979735) is 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CC(O)(C(C)C)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is WENLVKIWYZLARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)11(16)4-14(5-11)9-8(17-3)10(15)13-6-12-9/h6-7,16H,4-5H2,1-3H3,(H,12,13,15).
What are the key properties of 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).