1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one

C9H14N2O2 — CID 175647239

IUPAC1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one
SMILESCOCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-5-13-3)9(12)10-7/h6H,4-5H2,1-3H3
InChIKeySFECEBHTEHELAX-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.51
Rot. Bonds3

About 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one

1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one (PubChem CID 175647239) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one
PubChem CID175647239
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one
SMILESCOCCn1c(C)cc(C)nc1=O
InChIInChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-5-13-3)9(12)10-7/h6H,4-5H2,1-3H3
InChIKeySFECEBHTEHELAX-UHFFFAOYSA-N
XLogP0.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
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-ethyl-4,6-dimethyl-2(1H)-pyrimidinone
CID 1711493
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
4,6-Diethyl-1-(2-hydroxyethyl)-2-oxopyrimidine
CID 175647249
2-(4,6-Dimethyl-2-oxopyrimidin-1(2h)-yl)ethyl acetate
CID 175647253
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-2-fluoroacetate
CID 81296319
1-(2-Hydroxyethyl)-4,6-dimethylpyrimidin-2-one chloride
CID 53346709
Ethyl 2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetate
CID 13306028
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one chloride
CID 12097246
1,3-Bis(2-hydroxyethyl)-4,6-dimethylpyrimidin-1-ium-2-one
CID 12097247

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one (CID 175647239) is 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one is COCCn1c(C)cc(C)nc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one?
The InChIKey is SFECEBHTEHELAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-6-8(2)11(4-5-13-3)9(12)10-7/h6H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one?
1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one has a molecular weight of 182.22 g/mol, XLogP of 0.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 175647239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).