4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one

C10H16N2O2 — CID 136980897

IUPAC4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(CCO)[nH]c(=O)c1CC
InChIInChI=1S/C10H16N2O2/c1-3-7-8(4-2)11-9(5-6-13)12-10(7)14/h13H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyQPHQUSMOWRLJHD-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds4

About 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one

4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one (PubChem CID 136980897) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
PubChem CID136980897
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one
SMILESCCc1nc(CCO)[nH]c(=O)c1CC
InChIInChI=1S/C10H16N2O2/c1-3-7-8(4-2)11-9(5-6-13)12-10(7)14/h13H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyQPHQUSMOWRLJHD-UHFFFAOYSA-N
XLogP0.43
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one (CID 136980897) is 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one is CCc1nc(CCO)[nH]c(=O)c1CC.
What is the InChIKey of 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
The InChIKey is QPHQUSMOWRLJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-7-8(4-2)11-9(5-6-13)12-10(7)14/h13H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one?
4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-2-(2-hydroxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136980897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).