5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C7H10N2O2 — CID 45058008

IUPAC5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyHFIXDGCKBBIIPE-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.35
Rot. Bonds1

About 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 45058008) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID45058008
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCCc1c(O)nc(C)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h3H2,1-2H3,(H2,8,9,10,11)
InChIKeyHFIXDGCKBBIIPE-UHFFFAOYSA-N
XLogP0.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 45058008) is 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is CCc1c(O)nc(C)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is HFIXDGCKBBIIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-6(10)8-4(2)9-7(5)11/h3H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 45058008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).