4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one

C10H16N2O4 — CID 102927164

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-7-9(13)11-8(12-10(7)14)3-4-16-6-5-15-2/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPVCDDFVWEBRHFN-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.01
Rot. Bonds6

About 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one

4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 102927164) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID102927164
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C10H16N2O4/c1-7-9(13)11-8(12-10(7)14)3-4-16-6-5-15-2/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPVCDDFVWEBRHFN-UHFFFAOYSA-N
XLogP-0.01
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 103146608
4-hydroxy-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146609
methyl 2-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 131424357
4-hydroxy-2-(2-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 63611760
5-ethyl-4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63612109
4-hydroxy-5-methyl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63612277
4-hydroxy-2-(2-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613630
4-hydroxy-2-(3-methoxypropyl)-5-methyl-1H-pyrimidin-6-one
CID 65094966
2-(1,4-dioxan-2-yl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65351208
2-(ethoxymethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 65668232
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927163
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
CID 102927165

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one (CID 102927164) is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is PVCDDFVWEBRHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7-9(13)11-8(12-10(7)14)3-4-16-6-5-15-2/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 228.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102927164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).