4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione

C13H14N4O3S — CID 62194704

IUPAC4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione
SMILESCc1sc2nc(CN3C(=O)COCC3=O)nc(N)c2c1C
InChIInChI=1S/C13H14N4O3S/c1-6-7(2)21-13-11(6)12(14)15-8(16-13)3-17-9(18)4-20-5-10(17)19/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyQNMIOHANEGLHOB-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.78
Rot. Bonds2

About 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione

4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione (PubChem CID 62194704) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione
PubChem CID62194704
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione
SMILESCc1sc2nc(CN3C(=O)COCC3=O)nc(N)c2c1C
InChIInChI=1S/C13H14N4O3S/c1-6-7(2)21-13-11(6)12(14)15-8(16-13)3-17-9(18)4-20-5-10(17)19/h3-5H2,1-2H3,(H2,14,15,16)
InChIKeyQNMIOHANEGLHOB-UHFFFAOYSA-N
XLogP0.78
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
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 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione (CID 62194704) is 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione is Cc1sc2nc(CN3C(=O)COCC3=O)nc(N)c2c1C.
What is the InChIKey of 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione?
The InChIKey is QNMIOHANEGLHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-6-7(2)21-13-11(6)12(14)15-8(16-13)3-17-9(18)4-20-5-10(17)19/h3-5H2,1-2H3,(H2,14,15,16).
What are the key properties of 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione?
4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione has a molecular weight of 306.35 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 62194704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).