(2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one

C23H30N8O3S — CID 71811656

About (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one

(2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one (PubChem CID 71811656) has the molecular formula C23H30N8O3S and a molecular weight of 498.61 g/mol. Its IUPAC name is (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one.

Molecular Properties

• Compound Name: (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
• PubChem CID: 71811656
• Molecular Formula: C23H30N8O3S
• Molecular Weight: 498.61 g/mol
• Exact Mass: 498.22
• IUPAC Name: (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one
• SMILES: Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)[C@@H](C)O)CC3)csc12
• InChI: InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m1/s1
• InChIKey: QVYPYOVXCSHCCB-OAHLLOKOSA-N
• XLogP: 0.90
• TPSA: 133.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.61
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?

The IUPAC name of (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one (CID 71811656) is (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one.

What is the SMILES notation for (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?

The canonical SMILES for (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one is Cc1nc(N)ncc1-c1nc(N2CCOCC2)nc2c(CN3CCN(C(=O)[C@@H](C)O)CC3)csc12.

What is the InChIKey of (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?

The InChIKey is QVYPYOVXCSHCCB-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H30N8O3S/c1-14-17(11-25-22(24)26-14)19-20-18(27-23(28-19)31-7-9-34-10-8-31)16(13-35-20)12-29-3-5-30(6-4-29)21(33)15(2)32/h11,13,15,32H,3-10,12H2,1-2H3,(H2,24,25,26)/t15-/m1/s1.

What are the key properties of (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one?

(2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one has a molecular weight of 498.61 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-[4-[[4-(2-amino-4-methylpyrimidin-5-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]-2-hydroxypropan-1-one is sourced from PubChem (CID 71811656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).