5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

C22H23N5S — CID 69057953

IUPAC5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOTVAVOZUINMVOV-UHFFFAOYSA-N
MW389.53 g/mol
LogP4.37
Rot. Bonds5

About 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine

5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 69057953) has the molecular formula C22H23N5S and a molecular weight of 389.53 g/mol. Its IUPAC name is 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID69057953
Molecular FormulaC22H23N5S
Molecular Weight389.53 g/mol
Exact Mass389.17
IUPAC Name5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26)
InChIKeyOTVAVOZUINMVOV-UHFFFAOYSA-N
XLogP4.37
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-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-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 69057953) is 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(CCc2sc3ncnc(N)c3c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OTVAVOZUINMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S/c1-27(2)17-10-3-14(4-11-17)5-12-18-19(15-6-8-16(23)9-7-15)20-21(24)25-13-26-22(20)28-18/h3-4,6-11,13H,5,12,23H2,1-2H3,(H2,24,25,26).
What are the key properties of 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine?
5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 389.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-6-[2-[4-(dimethylamino)phenyl]ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69057953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).