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

C12H20N2O4 — CID 102927166

IUPAC4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H20N2O4/c1-8(2)10-11(15)13-9(14-12(10)16)4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyFIGGKIOOPXYKOT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.80
Rot. Bonds7

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

4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102927166) 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-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102927166
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C12H20N2O4/c1-8(2)10-11(15)13-9(14-12(10)16)4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16)
InChIKeyFIGGKIOOPXYKOT-UHFFFAOYSA-N
XLogP0.80
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.80
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

5-ethyl-4-hydroxy-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146610
2-[2-(2,2-difluoroethoxy)ethyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 103146612
4-hydroxy-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146613
2-[2-(2,2-difluoroethoxy)ethyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113780656
4-amino-5-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842419
4-amino-2-[2-(2,2-difluoroethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 137012979
6-Hydroxy-5-isopropyl-2-methylpyrimidin-4(1H)-one
CID 25421328
2-ethyl-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613803
4-hydroxy-2-(oxan-4-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216635
4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
4-hydroxy-2-(2-methylpropyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611775
4-hydroxy-2,5-di(propan-2-yl)-1H-pyrimidin-6-one
CID 63611951

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one (CID 102927166) is 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one is COCCOCCc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FIGGKIOOPXYKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)10-11(15)13-9(14-12(10)16)4-5-18-7-6-17-3/h8H,4-7H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-[2-(2-methoxyethoxy)ethyl]-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 256.30 g/mol, XLogP of 0.80, 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-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102927166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).