1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

C15H20N4OS — CID 2576098

IUPAC1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(NCCCN3CCCC3=O)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySEBLKXJVKCMRHF-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds5

About 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 2576098) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
PubChem CID2576098
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1sc2ncnc(NCCCN3CCCC3=O)c2c1C
InChIInChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18)
InChIKeySEBLKXJVKCMRHF-UHFFFAOYSA-N
XLogP2.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one (CID 2576098) is 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is Cc1sc2ncnc(NCCCN3CCCC3=O)c2c1C.
What is the InChIKey of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is SEBLKXJVKCMRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-11(2)21-15-13(10)14(17-9-18-15)16-6-4-8-19-7-3-5-12(19)20/h9H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 304.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 2576098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).