6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

C17H23N5OS — CID 126941776

About 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941776) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
• PubChem CID: 126941776
• Molecular Formula: C17H23N5OS
• Molecular Weight: 345.47 g/mol
• Exact Mass: 345.16
• IUPAC Name: 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
• SMILES: Cc1nnc(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)s1
• InChI: InChI=1S/C17H23N5OS/c1-12-19-20-16(24-12)10-21-6-4-13(5-7-21)9-22-11-18-15(8-17(22)23)14-2-3-14/h8,11,13-14H,2-7,9-10H2,1H3
• InChIKey: UOXOSJOHFRNFJB-UHFFFAOYSA-N
• XLogP: 2.19
• TPSA: 63.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.47
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The IUPAC name of 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941776) is 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one.

What is the SMILES notation for 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The canonical SMILES for 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1nnc(CN2CCC(Cn3cnc(C4CC4)cc3=O)CC2)s1.

What is the InChIKey of 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

The InChIKey is UOXOSJOHFRNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-12-19-20-16(24-12)10-21-6-4-13(5-7-21)9-22-11-18-15(8-17(22)23)14-2-3-14/h8,11,13-14H,2-7,9-10H2,1H3.

What are the key properties of 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one?

6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 345.47 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[[1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).