[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

C19H22N6OS — CID 70980948

IUPAC[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(C)nc5sccn45)CC3C2)n1
InChIInChI=1S/C19H22N6OS/c1-11-6-12(2)21-18(20-11)24-9-14-7-23(8-15(14)10-24)17(26)16-13(3)22-19-25(16)4-5-27-19/h4-6,14-15H,7-10H2,1-3H3
InChIKeyYJWUZQDBBBJSDZ-UHFFFAOYSA-N
MW382.49 g/mol
LogP2.32
Rot. Bonds2

About [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone

[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (PubChem CID 70980948) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
PubChem CID70980948
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone
SMILESCc1cc(C)nc(N2CC3CN(C(=O)c4c(C)nc5sccn45)CC3C2)n1
InChIInChI=1S/C19H22N6OS/c1-11-6-12(2)21-18(20-11)24-9-14-7-23(8-15(14)10-24)17(26)16-13(3)22-19-25(16)4-5-27-19/h4-6,14-15H,7-10H2,1-3H3
InChIKeyYJWUZQDBBBJSDZ-UHFFFAOYSA-N
XLogP2.32
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The IUPAC name of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone (CID 70980948) is [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone.
What is the SMILES notation for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The canonical SMILES for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is Cc1cc(C)nc(N2CC3CN(C(=O)c4c(C)nc5sccn45)CC3C2)n1.
What is the InChIKey of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
The InChIKey is YJWUZQDBBBJSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-11-6-12(2)21-18(20-11)24-9-14-7-23(8-15(14)10-24)17(26)16-13(3)22-19-25(16)4-5-27-19/h4-6,14-15H,7-10H2,1-3H3.
What are the key properties of [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone?
[2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone has a molecular weight of 382.49 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methanone is sourced from PubChem (CID 70980948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).