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

C12H20N2O4 — CID 102927165

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C12H20N2O4/c1-3-4-9-11(15)13-10(14-12(9)16)5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQUDHLJBCBZTKPH-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.63
Rot. Bonds8

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

4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one (PubChem CID 102927165) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
PubChem CID102927165
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(CCOCCOC)[nH]c1=O
InChIInChI=1S/C12H20N2O4/c1-3-4-9-11(15)13-10(14-12(9)16)5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,13,14,15,16)
InChIKeyQUDHLJBCBZTKPH-UHFFFAOYSA-N
XLogP0.63
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.63
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

4-hydroxy-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146611
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113780657
4-amino-5-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842417
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one
CID 136842418
4-hydroxy-2-methyl-5-propyl-1H-pyrimidin-6-one
CID 25420590
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
4-hydroxy-2,5-dipropyl-1H-pyrimidin-6-one
CID 46734450
2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 46734493
2-butyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734494
2-(3-aminopropyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63554460
2-butan-2-yl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611287
4-hydroxy-2-pentan-3-yl-5-propyl-1H-pyrimidin-6-one
CID 63611288

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one (CID 102927165) is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(CCOCCOC)[nH]c1=O.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one?
The InChIKey is QUDHLJBCBZTKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-3-4-9-11(15)13-10(14-12(9)16)5-6-18-8-7-17-2/h3-8H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propyl-1H-pyrimidin-6-one has a molecular weight of 256.30 g/mol, XLogP of 0.63, 8 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-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102927165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).