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

C13H16N4OS — CID 62207968

IUPAC1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1sc2nc(CN3CCCC3=O)nc(N)c2c1C
InChIInChI=1S/C13H16N4OS/c1-7-8(2)19-13-11(7)12(14)15-9(16-13)6-17-5-3-4-10(17)18/h3-6H2,1-2H3,(H2,14,15,16)
InChIKeyKQLLBJNIBKXPFY-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.01
Rot. Bonds2

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

1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one (PubChem CID 62207968) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
PubChem CID62207968
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one
SMILESCc1sc2nc(CN3CCCC3=O)nc(N)c2c1C
InChIInChI=1S/C13H16N4OS/c1-7-8(2)19-13-11(7)12(14)15-9(16-13)6-17-5-3-4-10(17)18/h3-6H2,1-2H3,(H2,14,15,16)
InChIKeyKQLLBJNIBKXPFY-UHFFFAOYSA-N
XLogP2.01
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one (CID 62207968) is 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one is Cc1sc2nc(CN3CCCC3=O)nc(N)c2c1C.
What is the InChIKey of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is KQLLBJNIBKXPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-7-8(2)19-13-11(7)12(14)15-9(16-13)6-17-5-3-4-10(17)18/h3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one?
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 276.37 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 62207968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).