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

C10H16N2O2 — CID 175647249

IUPAC4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one
SMILESCCc1cc(CC)n(CCO)c(=O)n1
InChIInChI=1S/C10H16N2O2/c1-3-8-7-9(4-2)12(5-6-13)10(14)11-8/h7,13H,3-6H2,1-2H3
InChIKeyJIAYPQZXCXTXEH-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.36
Rot. Bonds4

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

4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one (PubChem CID 175647249) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one
PubChem CID175647249
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one
SMILESCCc1cc(CC)n(CCO)c(=O)n1
InChIInChI=1S/C10H16N2O2/c1-3-8-7-9(4-2)12(5-6-13)10(14)11-8/h7,13H,3-6H2,1-2H3
InChIKeyJIAYPQZXCXTXEH-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxyethyl)-4,6-dimethyl-2(1H)-pyrimidinone
CID 121931
1-(2-hydroxyethyl)-4,6-dimethylpyrimidin-2(1H)-one hydrochloride
CID 6603213
1-(beta-Hydroxyethyl)-4,6-dimethyl-1,2-dihydro-2-hydroxypyrimidine
CID 69174303
3-(2-Hydroxyethyl)-1,4,6-trimethyl-2-oxo-2,3-dihydropyrimidinium iodide
CID 15787712
1-(3-Hydroxypropyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509825
1-(4-Hydroxybutyl)-4,6-dimethyl-2-oxopyrimidine
CID 43509827
1-(2-Methoxyethyl)-4,6-dimethyl-2-oxopyrimidine
CID 175647239
1-(2-Hydroxyethyl)-4,5,6-trimethyl-2-oxopyrimidine
CID 175647241
1-{2-[(2-Hydroxyethyl)amino]ethyl}-4,6-dimethyl-2oxopyrimidine
CID 175647252
4,6-Diethyl-1-(3-hydroxypropyl)-2-oxopyrimidine
CID 175647256
1-(3-Fluoro-2-hydroxypropyl)-4,6-dimethyl-1,2-dihydropyrimidin-2-one
CID 165595571
3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)-N-(2-hydroxyethyl)-N-propylpropanamide
CID 47000401

Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one?
The IUPAC name of 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one (CID 175647249) is 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one.
What is the SMILES notation for 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one?
The canonical SMILES for 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one is CCc1cc(CC)n(CCO)c(=O)n1.
What is the InChIKey of 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one?
The InChIKey is JIAYPQZXCXTXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8-7-9(4-2)12(5-6-13)10(14)11-8/h7,13H,3-6H2,1-2H3.
What are the key properties of 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one?
4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one has a molecular weight of 196.25 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-1-(2-hydroxyethyl)pyrimidin-2-one is sourced from PubChem (CID 175647249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).