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

C16H19F3N6O — CID 126933443

IUPAC2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ncnc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)c1C
InChIInChI=1S/C16H19F3N6O/c1-9-10(2)20-8-21-14(9)25-5-11-3-24(4-12(11)6-25)7-13-22-23-15(26-13)16(17,18)19/h8,11-12H,3-7H2,1-2H3
InChIKeyDNWAHQNVWCUIPW-UHFFFAOYSA-N
MW368.36 g/mol
LogP2.06
Rot. Bonds3

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

2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 126933443) has the molecular formula C16H19F3N6O and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID126933443
Molecular FormulaC16H19F3N6O
Molecular Weight368.36 g/mol
Exact Mass368.16
IUPAC Name2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCc1ncnc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)c1C
InChIInChI=1S/C16H19F3N6O/c1-9-10(2)20-8-21-14(9)25-5-11-3-24(4-12(11)6-25)7-13-22-23-15(26-13)16(17,18)19/h8,11-12H,3-7H2,1-2H3
InChIKeyDNWAHQNVWCUIPW-UHFFFAOYSA-N
XLogP2.06
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 126933443) is 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is Cc1ncnc(N2CC3CN(Cc4nnc(C(F)(F)F)o4)CC3C2)c1C.
What is the InChIKey of 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is DNWAHQNVWCUIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N6O/c1-9-10(2)20-8-21-14(9)25-5-11-3-24(4-12(11)6-25)7-13-22-23-15(26-13)16(17,18)19/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 368.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 126933443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).