2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one

C8H12N2O2 — CID 158591974

IUPAC2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(CCO)n1
InChIInChI=1S/C8H12N2O2/c1-6-5-8(12)10(2)7(9-6)3-4-11/h5,11H,3-4H2,1-2H3
InChIKeyHUOCJAWEENZWFX-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.38
Rot. Bonds2

About 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one

2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one (PubChem CID 158591974) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
PubChem CID158591974
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(C)c(CCO)n1
InChIInChI=1S/C8H12N2O2/c1-6-5-8(12)10(2)7(9-6)3-4-11/h5,11H,3-4H2,1-2H3
InChIKeyHUOCJAWEENZWFX-UHFFFAOYSA-N
XLogP-0.38
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,6-Dimethyl-2-propylpyrimidin-4-one
CID 89662153
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
4(3H)-Pyrimidinone, 2-(2-hydroxy-1-methylethyl)-6-methyl-
CID 135618154
3-(3-Fluoro-2-hydroxypropyl)-2,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 165876461
3-Ethyl-2-(2-hydroxyethyl)-5,6-dimethylpyrimidin-4-one
CID 141792051
Ethane;2-ethyl-3,6-dimethylpyrimidin-4-one
CID 143214941
3-(2-Hydroxypropyl)-2,6-dimethylpyrimidin-4-one
CID 55227861
3-(4-Hydroxybutyl)-6-methylpyrimidin-4-one
CID 61225329
3-(3-Hydroxypropyl)-6-methylpyrimidin-4-one
CID 61225523
3-(3-Hydroxybutyl)-6-methylpyrimidin-4-one
CID 61771919
3-(3-Hydroxybutyl)-2,6-dimethylpyrimidin-4-one
CID 63769038
3-(3-Hydroxypropyl)-2,6-dimethylpyrimidin-4-one
CID 63769735

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one?
The IUPAC name of 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one (CID 158591974) is 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one?
The canonical SMILES for 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(C)c(CCO)n1.
What is the InChIKey of 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one?
The InChIKey is HUOCJAWEENZWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6-5-8(12)10(2)7(9-6)3-4-11/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one?
2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 158591974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).