5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

C18H25N5OS — CID 131639656

About 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine

5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (PubChem CID 131639656) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• PubChem CID: 131639656
• Molecular Formula: C18H25N5OS
• Molecular Weight: 359.50 g/mol
• Exact Mass: 359.18
• IUPAC Name: 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• SMILES: Cc1cnc(NCCC2CCOC23CN(Cc2nc(C)cs2)C3)nc1
• InChI: InChI=1S/C18H25N5OS/c1-13-7-20-17(21-8-13)19-5-3-15-4-6-24-18(15)11-23(12-18)9-16-22-14(2)10-25-16/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,19,20,21)
• InChIKey: JWRZLYDOWVXSFD-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 63.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.50
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The IUPAC name of 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (CID 131639656) is 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

What is the SMILES notation for 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The canonical SMILES for 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is Cc1cnc(NCCC2CCOC23CN(Cc2nc(C)cs2)C3)nc1.

What is the InChIKey of 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

The InChIKey is JWRZLYDOWVXSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c1-13-7-20-17(21-8-13)19-5-3-15-4-6-24-18(15)11-23(12-18)9-16-22-14(2)10-25-16/h7-8,10,15H,3-6,9,11-12H2,1-2H3,(H,19,20,21).

What are the key properties of 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine?

5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine has a molecular weight of 359.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 131639656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).