3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one

C14H23N3O2 — CID 104747706

IUPAC3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-15-13(12-5-6-19-9-12)8-17-11(3)16-10(2)7-14(17)18/h7,12-13,15H,4-6,8-9H2,1-3H3
InChIKeyUAXCHHYHKGQUPU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.87
Rot. Bonds5

About 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one

3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 104747706) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID104747706
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1
InChIInChI=1S/C14H23N3O2/c1-4-15-13(12-5-6-19-9-12)8-17-11(3)16-10(2)7-14(17)18/h7,12-13,15H,4-6,8-9H2,1-3H3
InChIKeyUAXCHHYHKGQUPU-UHFFFAOYSA-N
XLogP0.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-2-[(1S)-1-[methyl(oxan-4-ylmethyl)amino]ethyl]-1H-pyrimidin-6-one
CID 136674856
2,6-Dimethyl-3-[2-(oxolan-2-ylmethylamino)ethyl]pyrimidin-4-one
CID 55235685
6-Methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 62564461
2,6-Dimethyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 63794382
2-Methoxy-6-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]pyrimidin-4-one
CID 79374764
2-[[1-(Oxolan-3-yl)ethylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104696512
6-Methyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747403
3-[2-(Ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
CID 104747406
6-Methyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
CID 104747408
3-[2-Amino-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
CID 104747410
2,6-Dimethyl-3-[2-(methylamino)-2-(oxolan-3-yl)ethyl]pyrimidin-4-one
CID 104747703
2,6-Dimethyl-3-[2-(oxolan-3-yl)-2-(propylamino)ethyl]pyrimidin-4-one
CID 104747709

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one (CID 104747706) is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one is CCNC(Cn1c(C)nc(C)cc1=O)C1CCOC1.
What is the InChIKey of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is UAXCHHYHKGQUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-15-13(12-5-6-19-9-12)8-17-11(3)16-10(2)7-14(17)18/h7,12-13,15H,4-6,8-9H2,1-3H3.
What are the key properties of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 265.36 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 104747706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).