[1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

C26H31N5O3S — CID 58117611

About [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol

[1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 58117611) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

Molecular Properties

• Compound Name: [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 58117611
• Molecular Formula: C26H31N5O3S
• Molecular Weight: 493.63 g/mol
• Exact Mass: 493.21
• IUPAC Name: [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6(CO)CC6)n4)S(=O)CC5)CC3)nc2C)cc1
• InChI: InChI=1S/C26H31N5O3S/c1-16-3-5-18(6-4-16)21-17(2)27-24(34-21)19-7-12-31(13-8-19)25-28-20-9-14-35(33)22(20)23(29-25)30-26(15-32)10-11-26/h3-6,19,32H,7-15H2,1-2H3,(H,28,29,30)
• InChIKey: PXGXPWIWSBTTGP-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 104.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.63
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 58117611) is [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol.

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

The canonical SMILES for [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6(CO)CC6)n4)S(=O)CC5)CC3)nc2C)cc1.

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

The InChIKey is PXGXPWIWSBTTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-16-3-5-18(6-4-16)21-17(2)27-24(34-21)19-7-12-31(13-8-19)25-28-20-9-14-35(33)22(20)23(29-25)30-26(15-32)10-11-26/h3-6,19,32H,7-15H2,1-2H3,(H,28,29,30).

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

[1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol has a molecular weight of 493.63 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-[4-[4-methyl-5-(4-methylphenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is sourced from PubChem (CID 58117611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).