4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one

C24H27N7O2S — CID 162656386

IUPAC4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
SMILESCCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1
InChIInChI=1S/C24H27N7O2S/c1-2-20-26-17-5-3-4-6-19(17)31(20)24-27-18-13-16(14-29-8-7-25-21(32)15-29)34-22(18)23(28-24)30-9-11-33-12-10-30/h3-6,13H,2,7-12,14-15H2,1H3,(H,25,32)
InChIKeyRGZKHPRPJSRBSJ-UHFFFAOYSA-N
MW477.59 g/mol
LogP2.36
Rot. Bonds5

About 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one

4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one (PubChem CID 162656386) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
PubChem CID162656386
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one
SMILESCCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1
InChIInChI=1S/C24H27N7O2S/c1-2-20-26-17-5-3-4-6-19(17)31(20)24-27-18-13-16(14-29-8-7-25-21(32)15-29)34-22(18)23(28-24)30-9-11-33-12-10-30/h3-6,13H,2,7-12,14-15H2,1H3,(H,25,32)
InChIKeyRGZKHPRPJSRBSJ-UHFFFAOYSA-N
XLogP2.36
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one (CID 162656386) is 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one is CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCNC(=O)C3)cc2n1.
What is the InChIKey of 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
The InChIKey is RGZKHPRPJSRBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-2-20-26-17-5-3-4-6-19(17)31(20)24-27-18-13-16(14-29-8-7-25-21(32)15-29)34-22(18)23(28-24)30-9-11-33-12-10-30/h3-6,13H,2,7-12,14-15H2,1H3,(H,25,32).
What are the key properties of 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one?
4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one has a molecular weight of 477.59 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-ethylbenzimidazol-1-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-2-one is sourced from PubChem (CID 162656386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).