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

C35H40Cl2N8O5S2 — CID 159636234

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

[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (PubChem CID 159636234) has the molecular formula C35H40Cl2N8O5S2 and a molecular weight of 787.80 g/mol. Its IUPAC name is [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• PubChem CID: 159636234
• Molecular Formula: C35H40Cl2N8O5S2
• Molecular Weight: 787.80 g/mol
• Exact Mass: 786.19
• IUPAC Name: [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol
• SMILES: Cc1nc(C2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)oc1-c1ccc(Cl)cc1.O=S1CCc2nc(Cl)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C25H28ClN5O3S.C10H12ClN3O2S/c1-15-20(16-2-4-18(26)5-3-16)34-23(27-15)17-6-11-31(12-7-17)24-28-19-8-13-35(33)21(19)22(29-24)30-25(14-32)9-10-25;11-9-12-6-1-4-17(16)7(6)8(13-9)14-10(5-15)2-3-10/h2-5,17,32H,6-14H2,1H3,(H,28,29,30);15H,1-5H2,(H,12,13,14)
• InChIKey: MPTXEJPRFSXYMD-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 179.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	787.80
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol (CID 159636234) is [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol is Cc1nc(C2CCN(c3nc4c(c(NC5(CO)CC5)n3)S(=O)CC4)CC2)oc1-c1ccc(Cl)cc1.O=S1CCc2nc(Cl)nc(NC3(CO)CC3)c21.

What is the InChIKey of [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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 MPTXEJPRFSXYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O3S.C10H12ClN3O2S/c1-15-20(16-2-4-18(26)5-3-16)34-23(27-15)17-6-11-31(12-7-17)24-28-19-8-13-35(33)21(19)22(29-24)30-25(14-32)9-10-25;11-9-12-6-1-4-17(16)7(6)8(13-9)14-10(5-15)2-3-10/h2-5,17,32H,6-14H2,1H3,(H,28,29,30);15H,1-5H2,(H,12,13,14).

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

[1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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 787.80 g/mol, XLogP of 4.81, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2-chloro-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl)amino]cyclopropyl]methanol;[1-[[2-[4-[5-(4-chlorophenyl)-4-methyl-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 159636234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).