1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

C21H29N5O2S — CID 133276681

IUPAC1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(CCN3C(=O)CCC3=O)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C21H29N5O2S/c1-14(2)12-16-13-29-21-19(16)20(22-15(3)23-21)25-9-6-24(7-10-25)8-11-26-17(27)4-5-18(26)28/h13-14H,4-12H2,1-3H3
InChIKeyQAXKMYBIADTPPQ-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.47
Rot. Bonds6

About 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione

1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 133276681) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID133276681
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(CCN3C(=O)CCC3=O)CC2)c2c(CC(C)C)csc2n1
InChIInChI=1S/C21H29N5O2S/c1-14(2)12-16-13-29-21-19(16)20(22-15(3)23-21)25-9-6-24(7-10-25)8-11-26-17(27)4-5-18(26)28/h13-14H,4-12H2,1-3H3
InChIKeyQAXKMYBIADTPPQ-UHFFFAOYSA-N
XLogP2.47
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 133276681) is 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is Cc1nc(N2CCN(CCN3C(=O)CCC3=O)CC2)c2c(CC(C)C)csc2n1.
What is the InChIKey of 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is QAXKMYBIADTPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-14(2)12-16-13-29-21-19(16)20(22-15(3)23-21)25-9-6-24(7-10-25)8-11-26-17(27)4-5-18(26)28/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione?
1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 415.56 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 133276681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).