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

C16H22N6OS — CID 124912766

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

5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (PubChem CID 124912766) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• PubChem CID: 124912766
• Molecular Formula: C16H22N6OS
• Molecular Weight: 346.46 g/mol
• Exact Mass: 346.16
• IUPAC Name: 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine
• SMILES: Cc1cnc(NCC[C@@H]2CCOC23CN(c2nnc(C)s2)C3)nc1
• InChI: InChI=1S/C16H22N6OS/c1-11-7-18-14(19-8-11)17-5-3-13-4-6-23-16(13)9-22(10-16)15-21-20-12(2)24-15/h7-8,13H,3-6,9-10H2,1-2H3,(H,17,18,19)/t13-/m1/s1
• InChIKey: FUNXIGPSDHYCIG-CYBMUJFWSA-N
• XLogP: 2.04
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.46
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine (CID 124912766) is 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine.

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

The canonical SMILES for 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is Cc1cnc(NCC[C@@H]2CCOC23CN(c2nnc(C)s2)C3)nc1.

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

The InChIKey is FUNXIGPSDHYCIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-7-18-14(19-8-11)17-5-3-13-4-6-23-16(13)9-22(10-16)15-21-20-12(2)24-15/h7-8,13H,3-6,9-10H2,1-2H3,(H,17,18,19)/t13-/m1/s1.

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

5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine has a molecular weight of 346.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[2-[(8R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyrimidin-2-amine is sourced from PubChem (CID 124912766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).