5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine

C17H21ClN4OS — CID 164725678

About 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine

5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine (PubChem CID 164725678) has the molecular formula C17H21ClN4OS and a molecular weight of 364.90 g/mol. Its IUPAC name is 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine
• PubChem CID: 164725678
• Molecular Formula: C17H21ClN4OS
• Molecular Weight: 364.90 g/mol
• Exact Mass: 364.11
• IUPAC Name: 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine
• SMILES: CNc1ncc(C2CC3(CC(C)N2)OCCc2cc(Cl)sc23)cn1
• InChI: InChI=1S/C17H21ClN4OS/c1-10-6-17(15-11(3-4-23-17)5-14(18)24-15)7-13(22-10)12-8-20-16(19-2)21-9-12/h5,8-10,13,22H,3-4,6-7H2,1-2H3,(H,19,20,21)
• InChIKey: WADIOCHCKBXUCV-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 59.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.90
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine?

The IUPAC name of 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine (CID 164725678) is 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine.

What is the SMILES notation for 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine?

The canonical SMILES for 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine is CNc1ncc(C2CC3(CC(C)N2)OCCc2cc(Cl)sc23)cn1.

What is the InChIKey of 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine?

The InChIKey is WADIOCHCKBXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4OS/c1-10-6-17(15-11(3-4-23-17)5-14(18)24-15)7-13(22-10)12-8-20-16(19-2)21-9-12/h5,8-10,13,22H,3-4,6-7H2,1-2H3,(H,19,20,21).

What are the key properties of 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine?

5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine has a molecular weight of 364.90 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-6'-methylspiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-2'-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 164725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).