5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine

C21H31N7S — CID 155909896

About 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine

5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 155909896) has the molecular formula C21H31N7S and a molecular weight of 413.60 g/mol. Its IUPAC name is 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine
• PubChem CID: 155909896
• Molecular Formula: C21H31N7S
• Molecular Weight: 413.60 g/mol
• Exact Mass: 413.24
• IUPAC Name: 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine
• SMILES: CCCN1CCCC2(CCc3c(NCCc4nnc(N)s4)nc(C4CC4)nc32)C1
• InChI: InChI=1S/C21H31N7S/c1-2-11-28-12-3-8-21(13-28)9-6-15-17(21)24-18(14-4-5-14)25-19(15)23-10-7-16-26-27-20(22)29-16/h14H,2-13H2,1H3,(H2,22,27)(H,23,24,25)
• InChIKey: ANRNFULENFYZBX-UHFFFAOYSA-N
• XLogP: 3.13
• TPSA: 92.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.60
LogP ≤ 5	3.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine?

The IUPAC name of 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine (CID 155909896) is 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine.

What is the SMILES notation for 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine?

The canonical SMILES for 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine is CCCN1CCCC2(CCc3c(NCCc4nnc(N)s4)nc(C4CC4)nc32)C1.

What is the InChIKey of 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine?

The InChIKey is ANRNFULENFYZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7S/c1-2-11-28-12-3-8-21(13-28)9-6-15-17(21)24-18(14-4-5-14)25-19(15)23-10-7-16-26-27-20(22)29-16/h14H,2-13H2,1H3,(H2,22,27)(H,23,24,25).

What are the key properties of 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine?

5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 413.60 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[(2-cyclopropyl-1'-propylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-4-yl)amino]ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 155909896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).