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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Related Compounds

3-ethyl-2-hydroxy-5-methyl-1,2-dihydropyrimidine-6-thione
CID 170142672
2-hydroxy-3,5-dimethyl-1,2-dihydropyrimidin-6-one
CID 22117647
2-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 21036329
(2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
CID 5325835
1-[3-[2-[(2S)-1-amino-4-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)butan-2-yl]oxyethoxy]-2-(2-hydroxyethoxy)propyl]-5-methylpyrimidine-2,4-dione
CID 153022167
2-hydroxy-3-pentan-3-yl-1,2-dihydropyrimidin-6-one
CID 90854752
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
4,5-diamino-3-butyl-2-hydroxy-1,2-dihydropyrimidin-6-one
CID 139517179
[5-(2-hydroxy-5-methyl-6-oxo-1,2-dihydropyrimidin-3-yl)-2-[(E)-2-phosphonatoethenyl]oxolan-3-yl]oxy-methylphosphinate
CID 176964161
1-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one
CID 20810150
ethyl 2-hydroxy-6-oxo-3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-1,2-dihydropyrimidine-5-carboxylate
CID 130177678
2-hydroxy-3-[(2R,4S,5S)-5-(hydroxymethyl)-4-(4-pyridin-2-yltriazol-1-yl)oxolan-2-yl]-5-methyl-1,2-dihydropyrimidin-6-one
CID 135258040

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).