3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

C7H12N2O2 — CID 163645957

IUPAC3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCCN1C=C(C)C(=O)NC1O
InChIInChI=1S/C7H12N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4,7,11H,3H2,1-2H3,(H,8,10)
InChIKeyIIFRKSJALGCYGF-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.38
Rot. Bonds1

About 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one

3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (PubChem CID 163645957) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
PubChem CID163645957
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one
SMILESCCN1C=C(C)C(=O)NC1O
InChIInChI=1S/C7H12N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4,7,11H,3H2,1-2H3,(H,8,10)
InChIKeyIIFRKSJALGCYGF-UHFFFAOYSA-N
XLogP-0.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one (CID 163645957) is 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one is CCN1C=C(C)C(=O)NC1O.
What is the InChIKey of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
The InChIKey is IIFRKSJALGCYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-9-4-5(2)6(10)8-7(9)11/h4,7,11H,3H2,1-2H3,(H,8,10).
What are the key properties of 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one?
3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one has a molecular weight of 156.18 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 163645957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).