5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine

C24H36N4OS — CID 169138660

About 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine

5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine (PubChem CID 169138660) has the molecular formula C24H36N4OS and a molecular weight of 428.65 g/mol. Its IUPAC name is 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine
• PubChem CID: 169138660
• Molecular Formula: C24H36N4OS
• Molecular Weight: 428.65 g/mol
• Exact Mass: 428.26
• IUPAC Name: 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine
• SMILES: CCc1cc2c(s1)CCO[C@@]21CCN(Cc2cnc(NC(C)(C)CC)nc2)[C@@H](C)C1
• InChI: InChI=1S/C24H36N4OS/c1-6-19-12-20-21(30-19)8-11-29-24(20)9-10-28(17(3)13-24)16-18-14-25-22(26-15-18)27-23(4,5)7-2/h12,14-15,17H,6-11,13,16H2,1-5H3,(H,25,26,27)/t17-,24+/m0/s1
• InChIKey: NJRZRPMLBDXCJN-BXKMTCNYSA-N
• XLogP: 5.15
• TPSA: 50.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.65
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine?

The IUPAC name of 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine (CID 169138660) is 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine.

What is the SMILES notation for 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine?

The canonical SMILES for 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine is CCc1cc2c(s1)CCO[C@@]21CCN(Cc2cnc(NC(C)(C)CC)nc2)[C@@H](C)C1.

What is the InChIKey of 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine?

The InChIKey is NJRZRPMLBDXCJN-BXKMTCNYSA-N. The full InChI is InChI=1S/C24H36N4OS/c1-6-19-12-20-21(30-19)8-11-29-24(20)9-10-28(17(3)13-24)16-18-14-25-22(26-15-18)27-23(4,5)7-2/h12,14-15,17H,6-11,13,16H2,1-5H3,(H,25,26,27)/t17-,24+/m0/s1.

What are the key properties of 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine?

5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine has a molecular weight of 428.65 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[(2'S,4R)-2-ethyl-2'-methylspiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-yl]methyl]-N-(2-methylbutan-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 169138660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).