5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine

C25H27N7O — CID 10003439

IUPAC5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1
InChIInChI=1S/C25H27N7O/c1-30(2)21-9-8-18(12-26-21)24-29-22-23(27-16-28-25(22)33-24)32-14-19-10-11-31(20(19)15-32)13-17-6-4-3-5-7-17/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3
InChIKeyYSVIIUBIAQWFIX-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.46
Rot. Bonds5

About 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine

5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 10003439) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID10003439
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC Name5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1
InChIInChI=1S/C25H27N7O/c1-30(2)21-9-8-18(12-26-21)24-29-22-23(27-16-28-25(22)33-24)32-14-19-10-11-31(20(19)15-32)13-17-6-4-3-5-7-17/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3
InChIKeyYSVIIUBIAQWFIX-UHFFFAOYSA-N
XLogP3.46
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine (CID 10003439) is 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1.
What is the InChIKey of 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is YSVIIUBIAQWFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-30(2)21-9-8-18(12-26-21)24-29-22-23(27-16-28-25(22)33-24)32-14-19-10-11-31(20(19)15-32)13-17-6-4-3-5-7-17/h3-9,12,16,19-20H,10-11,13-15H2,1-2H3.
What are the key properties of 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine?
5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 441.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(1-benzyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-[1,3]oxazolo[5,4-d]pyrimidin-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 10003439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).