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

C15H18N2O4 — CID 102927167

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O4/c1-20-9-10-21-8-7-12-16-14(18)13(15(19)17-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18,19)
InChIKeyWNMAKHRNOVMIRK-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.35
Rot. Bonds7

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

4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one (PubChem CID 102927167) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one
PubChem CID102927167
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C15H18N2O4/c1-20-9-10-21-8-7-12-16-14(18)13(15(19)17-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18,19)
InChIKeyWNMAKHRNOVMIRK-UHFFFAOYSA-N
XLogP1.35
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.35
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one (CID 102927167) is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one?
The InChIKey is WNMAKHRNOVMIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-9-10-21-8-7-12-16-14(18)13(15(19)17-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-phenyl-1H-pyrimidin-6-one has a molecular weight of 290.32 g/mol, XLogP of 1.35, 7 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-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 102927167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).