2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one

C8H12N2O2 — CID 46734407

IUPAC2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)9-6(4-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIKNUSGCSGWXDGY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.60
Rot. Bonds2

About 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one

2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 46734407) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID46734407
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-5-7(11)9-6(4-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyIKNUSGCSGWXDGY-UHFFFAOYSA-N
XLogP0.60
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one (CID 46734407) is 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IKNUSGCSGWXDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-5-7(11)9-6(4-2)10-8(5)12/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one?
2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 46734407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).