4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H19N3O4 — CID 136979802

IUPAC4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(OCCO)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-18-10-11(13-8-14-12(10)17)15-4-2-9(3-5-15)19-7-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyOHHFFIXDQKJRGL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.24
Rot. Bonds5

About 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136979802) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136979802
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(OCCO)CC2)nc[nH]c1=O
InChIInChI=1S/C12H19N3O4/c1-18-10-11(13-8-14-12(10)17)15-4-2-9(3-5-15)19-7-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17)
InChIKeyOHHFFIXDQKJRGL-UHFFFAOYSA-N
XLogP-0.24
TPSA87.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-(3,4-dihydroxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136766526
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[(3S)-3-hydroxypiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136811793
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136825661
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136958054
2-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 136958929
3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]oxypropanoic acid
CID 136958934
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136973329
4-[(2-hydroxy-3-methoxypropyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136975886
4-(3-hydroxypentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136977305

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136979802) is 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(OCCO)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is OHHFFIXDQKJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-18-10-11(13-8-14-12(10)17)15-4-2-9(3-5-15)19-7-6-16/h8-9,16H,2-7H2,1H3,(H,13,14,17).
What are the key properties of 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 269.30 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-hydroxyethoxy)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136979802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).