1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one

C13H15N5OS — CID 80583067

IUPAC1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2nc(N)c3ccsc3n2)c1=O
InChIInChI=1S/C13H15N5OS/c1-8(2)18-5-4-17(13(18)19)7-10-15-11(14)9-3-6-20-12(9)16-10/h3-6,8H,7H2,1-2H3,(H2,14,15,16)
InChIKeyNFCSQKHPAXSBEU-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.87
Rot. Bonds3

About 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one

1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one (PubChem CID 80583067) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one.

Molecular Properties

Compound Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
PubChem CID80583067
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one
SMILESCC(C)n1ccn(Cc2nc(N)c3ccsc3n2)c1=O
InChIInChI=1S/C13H15N5OS/c1-8(2)18-5-4-17(13(18)19)7-10-15-11(14)9-3-6-20-12(9)16-10/h3-6,8H,7H2,1-2H3,(H2,14,15,16)
InChIKeyNFCSQKHPAXSBEU-UHFFFAOYSA-N
XLogP1.87
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The IUPAC name of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one (CID 80583067) is 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one.
What is the SMILES notation for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The canonical SMILES for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one is CC(C)n1ccn(Cc2nc(N)c3ccsc3n2)c1=O.
What is the InChIKey of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
The InChIKey is NFCSQKHPAXSBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8(2)18-5-4-17(13(18)19)7-10-15-11(14)9-3-6-20-12(9)16-10/h3-6,8H,7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one?
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one has a molecular weight of 289.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]-3-propan-2-ylimidazol-2-one is sourced from PubChem (CID 80583067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).