5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole

C16H21FN6O — CID 155941715

IUPAC5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1ncnc(N2CC3CN(Cc4nc(C)no4)CC3C2)c1F
InChIInChI=1S/C16H21FN6O/c1-3-13-15(17)16(19-9-18-13)23-6-11-4-22(5-12(11)7-23)8-14-20-10(2)21-24-14/h9,11-12H,3-8H2,1-2H3
InChIKeyRXGPFBVIXRLLDX-UHFFFAOYSA-N
MW332.38 g/mol
LogP1.44
Rot. Bonds4

About 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole

5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 155941715) has the molecular formula C16H21FN6O and a molecular weight of 332.38 g/mol. Its IUPAC name is 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID155941715
Molecular FormulaC16H21FN6O
Molecular Weight332.38 g/mol
Exact Mass332.18
IUPAC Name5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole
SMILESCCc1ncnc(N2CC3CN(Cc4nc(C)no4)CC3C2)c1F
InChIInChI=1S/C16H21FN6O/c1-3-13-15(17)16(19-9-18-13)23-6-11-4-22(5-12(11)7-23)8-14-20-10(2)21-24-14/h9,11-12H,3-8H2,1-2H3
InChIKeyRXGPFBVIXRLLDX-UHFFFAOYSA-N
XLogP1.44
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole (CID 155941715) is 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole is CCc1ncnc(N2CC3CN(Cc4nc(C)no4)CC3C2)c1F.
What is the InChIKey of 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is RXGPFBVIXRLLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O/c1-3-13-15(17)16(19-9-18-13)23-6-11-4-22(5-12(11)7-23)8-14-20-10(2)21-24-14/h9,11-12H,3-8H2,1-2H3.
What are the key properties of 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole?
5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 332.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(6-ethyl-5-fluoropyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 155941715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).