5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C20H20N6OS — CID 133487606

IUPAC5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C20H20N6OS/c1-26(2)20-22-15(27-25-20)10-21-18-16-14(12-6-4-3-5-7-12)11-28-19(16)24-17(23-18)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,21,23,24)
InChIKeyOQQFAZWSEAPKET-UHFFFAOYSA-N
MW392.49 g/mol
LogP4.30
Rot. Bonds6

About 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 133487606) has the molecular formula C20H20N6OS and a molecular weight of 392.49 g/mol. Its IUPAC name is 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID133487606
Molecular FormulaC20H20N6OS
Molecular Weight392.49 g/mol
Exact Mass392.14
IUPAC Name5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)n1
InChIInChI=1S/C20H20N6OS/c1-26(2)20-22-15(27-25-20)10-21-18-16-14(12-6-4-3-5-7-12)11-28-19(16)24-17(23-18)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,21,23,24)
InChIKeyOQQFAZWSEAPKET-UHFFFAOYSA-N
XLogP4.30
TPSA79.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine 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 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 133487606) is 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)n1.
What is the InChIKey of 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is OQQFAZWSEAPKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6OS/c1-26(2)20-22-15(27-25-20)10-21-18-16-14(12-6-4-3-5-7-12)11-28-19(16)24-17(23-18)13-8-9-13/h3-7,11,13H,8-10H2,1-2H3,(H,21,23,24).
What are the key properties of 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 392.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133487606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).