5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one

C15H22N4O3 — CID 126815673

IUPAC5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2nc(C(C)OCC(C)C)no2)c(=O)c1C
InChIInChI=1S/C15H22N4O3/c1-9(2)7-21-12(5)14-17-13(22-18-14)6-19-8-16-11(4)10(3)15(19)20/h8-9,12H,6-7H2,1-5H3
InChIKeyFBSPWYAGJSTYGO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.03
Rot. Bonds6

About 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one (PubChem CID 126815673) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one
PubChem CID126815673
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(Cc2nc(C(C)OCC(C)C)no2)c(=O)c1C
InChIInChI=1S/C15H22N4O3/c1-9(2)7-21-12(5)14-17-13(22-18-14)6-19-8-16-11(4)10(3)15(19)20/h8-9,12H,6-7H2,1-5H3
InChIKeyFBSPWYAGJSTYGO-UHFFFAOYSA-N
XLogP2.03
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-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

3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 71991561
4-methyl-1-[[3-[(1S)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyridin-2-one
CID 95904230
5-[(4,5-dimethylimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 115616737
3-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-5,6-dimethylpyrimidin-4-one
CID 126806195
3-[1-(2-methylpropoxy)ethyl]-5-[(1,3,5-trimethylpyrazol-4-yl)oxymethyl]-1,2,4-oxadiazole
CID 71920867
3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 75434110
3-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 97072951
6-(hydroxymethyl)-3-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one
CID 170571487
5-[(6-chloro-4-methyl-3-pyridinyl)oxymethyl]-3-[(1R)-1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazole
CID 97069316
7-bromo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]quinazolin-4-one
CID 78961293
3-cyclobutyl-5-[(4,5-dimethyl-6-oxopyrimidin-1-yl)methyl]-1,3,4-oxadiazol-2-one
CID 134555079
3-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-one
CID 115637804

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one (CID 126815673) is 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one is Cc1ncn(Cc2nc(C(C)OCC(C)C)no2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one?
The InChIKey is FBSPWYAGJSTYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-9(2)7-21-12(5)14-17-13(22-18-14)6-19-8-16-11(4)10(3)15(19)20/h8-9,12H,6-7H2,1-5H3.
What are the key properties of 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[3-[1-(2-methylpropoxy)ethyl]-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126815673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).