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

C107H127N19O12S4 — CID 123152816

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

[1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (PubChem CID 123152816) has the molecular formula C107H127N19O12S4 and a molecular weight of 1999.58 g/mol. Its IUPAC name is [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
• PubChem CID: 123152816
• Molecular Formula: C107H127N19O12S4
• Molecular Weight: 1999.58 g/mol
• Exact Mass: 1997.88
• IUPAC Name: [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol
• SMILES: Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6(CO)CC6)n4)S(=O)CC5)CC3)nc2C)cc1.Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)nc2C)cc1.Cc1ccc(C2(CO)CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3(CO)CC3)c21
• InChI: InChI=1S/C30H31N5O3S.C27H33N5O3S.C26H31N5O3S.C24H32N4O3S/c36-19-30(14-15-30)34-27-26-23(13-18-39(26)37)31-29(33-27)35-16-11-22(12-17-35)28-32-24(20-7-3-1-4-8-20)25(38-28)21-9-5-2-6-10-21;1-17-3-5-19(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;1-16-3-5-18(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;1-17-2-4-18(5-3-17)24(16-29)9-11-28(12-10-24)23-26-20-8-15-32(30)21(20)22(27-23)25-19-6-13-31-14-7-19/h1-10,22,36H,11-19H2,(H,31,33,34);3-6,20-21H,7-16H2,1-2H3,(H,29,30,31);3-6,19,32H,7-15H2,1-2H3,(H,28,29,30);2-5,19,29H,6-16H2,1H3,(H,25,26,27)
• InChIKey: FLGVQXGCHMDDLO-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 389.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 31
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.58
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

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

The IUPAC name of [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol (CID 123152816) is [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol.

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

The canonical SMILES for [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6(CO)CC6)n4)S(=O)CC5)CC3)nc2C)cc1.Cc1ccc(-c2oc(C3CCN(c4nc5c(c(NC6CCOCC6)n4)S(=O)CC5)CC3)nc2C)cc1.Cc1ccc(C2(CO)CCN(c3nc4c(c(NC5CCOCC5)n3)S(=O)CC4)CC2)cc1.O=S1CCc2nc(N3CCC(c4nc(-c5ccccc5)c(-c5ccccc5)o4)CC3)nc(NC3(CO)CC3)c21.

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

The InChIKey is FLGVQXGCHMDDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3S.C27H33N5O3S.C26H31N5O3S.C24H32N4O3S/c36-19-30(14-15-30)34-27-26-23(13-18-39(26)37)31-29(33-27)35-16-11-22(12-17-35)28-32-24(20-7-3-1-4-8-20)25(38-28)21-9-5-2-6-10-21;1-17-3-5-19(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;1-16-3-5-18(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;1-17-2-4-18(5-3-17)24(16-29)9-11-28(12-10-24)23-26-20-8-15-32(30)21(20)22(27-23)25-19-6-13-31-14-7-19/h1-10,22,36H,11-19H2,(H,31,33,34);3-6,20-21H,7-16H2,1-2H3,(H,29,30,31);3-6,19,32H,7-15H2,1-2H3,(H,28,29,30);2-5,19,29H,6-16H2,1H3,(H,25,26,27).

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

[1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol has a molecular weight of 1999.58 g/mol, XLogP of 15.47, 23 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[2-[4-(4,5-diphenyl-1,3-oxazol-2-yl)piperidin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclopropyl]methanol;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;[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;[4-(4-methylphenyl)-1-[4-(oxan-4-ylamino)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 123152816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).