2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

C24H33N9O2S — CID 56648757

About 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one

2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 56648757) has the molecular formula C24H33N9O2S and a molecular weight of 511.66 g/mol. Its IUPAC name is 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

• Compound Name: 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
• PubChem CID: 56648757
• Molecular Formula: C24H33N9O2S
• Molecular Weight: 511.66 g/mol
• Exact Mass: 511.25
• IUPAC Name: 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
• SMILES: Cc1c(CN2CCN(C(=O)C(C)(C)N)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
• InChI: InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28)
• InChIKey: IRYPRNBFNRSBFQ-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 139.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.66
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?

The IUPAC name of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one (CID 56648757) is 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one.

What is the SMILES notation for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?

The canonical SMILES for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is Cc1c(CN2CCN(C(=O)C(C)(C)N)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.

What is the InChIKey of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?

The InChIKey is IRYPRNBFNRSBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N9O2S/c1-15-17(14-31-4-6-33(7-5-31)22(34)24(2,3)26)36-19-18(15)29-20(16-12-27-23(25)28-13-16)30-21(19)32-8-10-35-11-9-32/h12-13H,4-11,14,26H2,1-3H3,(H2,25,27,28).

What are the key properties of 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one?

2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 511.66 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 56648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).