4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 136979860

IUPAC4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-11(16)4-3-5-14(6-11)9-8(17-2)10(15)13-7-12-9/h7,16H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyZVBXLQHTDJPYCY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.13
Rot. Bonds2

About 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one

4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979860) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979860
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C)(O)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-11(16)4-3-5-14(6-11)9-8(17-2)10(15)13-7-12-9/h7,16H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyZVBXLQHTDJPYCY-UHFFFAOYSA-N
XLogP0.13
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-[(2-hydroxy-4-methylpentyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136703840
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716209
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
N-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]acetamide
CID 136792780
5-methoxy-4-[methyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805327
5-methoxy-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805334
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805344

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one (CID 136979860) is 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC(C)(O)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is ZVBXLQHTDJPYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(16)4-3-5-14(6-11)9-8(17-2)10(15)13-7-12-9/h7,16H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one?
4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylpiperidin-1-yl)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).