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

C9H14N2O4 — CID 102927163

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O4/c1-14-4-5-15-3-2-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyMDULWBHEBZONKP-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.32
Rot. Bonds6

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

4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927163) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927163
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C9H14N2O4/c1-14-4-5-15-3-2-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13)
InChIKeyMDULWBHEBZONKP-UHFFFAOYSA-N
XLogP-0.32
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.32
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-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-Ethyl-4,6-dihydroxypyrimidine
CID 520836
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-1H-pyrimidin-6-one
CID 103146606
4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146607
6-amino-2-(2-methoxyethyl)pyrimidin-4(3H)-one
CID 135629496
4-hydroxy-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 63613425
4-hydroxy-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
CID 68982555
4-Amino-2-(2-ethoxyethyl)pyrimid-6-one
CID 136354624
ethane;2-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 144538350
2-[2-(2-hydroxyethoxy)ethyl]-4-methyl-1H-pyrimidin-6-one
CID 178102906
2-Ethyl-6-propoxypyrimidin-4(1H)-one
CID 45117356
2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927163) is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is MDULWBHEBZONKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-14-4-5-15-3-2-7-10-8(12)6-9(13)11-7/h6H,2-5H2,1H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -0.32, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).