4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one

C8H12N2O3 — CID 79617113

IUPAC4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-4-7(11)9-6(5(2)13-3)10-8(4)12/h5H,1-3H3,(H2,9,10,11,12)
InChIKeyIAGIDCVWMDCFHR-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.49
Rot. Bonds2

About 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one

4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 79617113) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID79617113
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCOC(C)c1nc(O)c(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O3/c1-4-7(11)9-6(5(2)13-3)10-8(4)12/h5H,1-3H3,(H2,9,10,11,12)
InChIKeyIAGIDCVWMDCFHR-UHFFFAOYSA-N
XLogP0.49
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one (CID 79617113) is 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one is COC(C)c1nc(O)c(C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is IAGIDCVWMDCFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-4-7(11)9-6(5(2)13-3)10-8(4)12/h5H,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one?
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 184.19 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79617113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).