5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

C17H24N6O — CID 154882633

IUPAC5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-12(2)18-16(14-4-5-14)20-17(11)23-8-6-22(7-9-23)10-15-19-13(3)21-24-15/h14H,4-10H2,1-3H3
InChIKeySDWILCAZBUNEAR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.98
Rot. Bonds4

About 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 154882633) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID154882633
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(CN2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1
InChIInChI=1S/C17H24N6O/c1-11-12(2)18-16(14-4-5-14)20-17(11)23-8-6-22(7-9-23)10-15-19-13(3)21-24-15/h14H,4-10H2,1-3H3
InChIKeySDWILCAZBUNEAR-UHFFFAOYSA-N
XLogP1.98
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-[[4-(2-cyclopropyl-5-fluoro-6-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 155798422
3-cyclopropyl-5-[(4-ethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 47022082
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
5-[[4-[7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 133388201
3-methyl-5-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882516
3-methyl-5-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 51075925
cyclopropyl-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 154882571
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
4-[[5,6-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]methyl]morpholine
CID 43069761
5-methyl-3-[[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 154882517
3-methyl-5-[[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 171323647
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 154882633) is 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(CN2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1.
What is the InChIKey of 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is SDWILCAZBUNEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-11-12(2)18-16(14-4-5-14)20-17(11)23-8-6-22(7-9-23)10-15-19-13(3)21-24-15/h14H,4-10H2,1-3H3.
What are the key properties of 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 328.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 154882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).