6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one

C18H23N5O2S — CID 129473867

About 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one

6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one (PubChem CID 129473867) has the molecular formula C18H23N5O2S and a molecular weight of 373.48 g/mol. Its IUPAC name is 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one
• PubChem CID: 129473867
• Molecular Formula: C18H23N5O2S
• Molecular Weight: 373.48 g/mol
• Exact Mass: 373.16
• IUPAC Name: 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one
• SMILES: Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)nc(=O)[nH]1
• InChI: InChI=1S/C18H23N5O2S/c1-12-9-13(21-17(25)20-12)16(24)23-6-3-18(4-7-23)10-14(18)22(2)11-15-19-5-8-26-15/h5,8-9,14H,3-4,6-7,10-11H2,1-2H3,(H,20,21,25)/t14-/m0/s1
• InChIKey: BKARFAQULVNALJ-AWEZNQCLSA-N
• XLogP: 1.66
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.48
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one?

The IUPAC name of 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one (CID 129473867) is 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one.

What is the SMILES notation for 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one?

The canonical SMILES for 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one is Cc1cc(C(=O)N2CCC3(CC2)C[C@@H]3N(C)Cc2nccs2)nc(=O)[nH]1.

What is the InChIKey of 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one?

The InChIKey is BKARFAQULVNALJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N5O2S/c1-12-9-13(21-17(25)20-12)16(24)23-6-3-18(4-7-23)10-14(18)22(2)11-15-19-5-8-26-15/h5,8-9,14H,3-4,6-7,10-11H2,1-2H3,(H,20,21,25)/t14-/m0/s1.

What are the key properties of 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one?

6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one has a molecular weight of 373.48 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methyl-4-[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octane-6-carbonyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 129473867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).