2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C27H33N5O3S — CID 58117569

About 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117569) has the molecular formula C27H33N5O3S and a molecular weight of 507.66 g/mol. Its IUPAC name is 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• PubChem CID: 58117569
• Molecular Formula: C27H33N5O3S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.23
• IUPAC Name: 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
• SMILES: Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)nc2C)cc1
• InChI: InChI=1S/C27H33N5O3S/c1-17-3-5-19(6-4-17)23-18(2)28-26(35-23)20-7-12-32(13-8-20)27-30-22-11-16-36(33)24(22)25(31-27)29-21-9-14-34-15-10-21/h3-6,20-21H,7-16H2,1-2H3,(H,29,30,31)
• InChIKey: PQGZTDUGNXKHGV-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117569) is 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)nc2C)cc1.

What is the InChIKey of 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

The InChIKey is PQGZTDUGNXKHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3S/c1-17-3-5-19(6-4-17)23-18(2)28-26(35-23)20-7-12-32(13-8-20)27-30-22-11-16-36(33)24(22)25(31-27)29-21-9-14-34-15-10-21/h3-6,20-21H,7-16H2,1-2H3,(H,29,30,31).

What are the key properties of 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?

2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 507.66 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).