5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

C23H23ClN4OS — CID 2921859

IUPAC5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1ccc(-c2csc3ncnc(Nc4ccc(N5CCOCC5)cc4)c23)cc1.Cl
InChIInChI=1S/C23H22N4OS.ClH/c1-16-2-4-17(5-3-16)20-14-29-23-21(20)22(24-15-25-23)26-18-6-8-19(9-7-18)27-10-12-28-13-11-27;/h2-9,14-15H,10-13H2,1H3,(H,24,25,26);1H
InChIKeyHLSMANMCYBNLQF-UHFFFAOYSA-N
MW438.98 g/mol
LogP5.67
Rot. Bonds4

About 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride

5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (PubChem CID 2921859) has the molecular formula C23H23ClN4OS and a molecular weight of 438.98 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
PubChem CID2921859
Molecular FormulaC23H23ClN4OS
Molecular Weight438.98 g/mol
Exact Mass438.13
IUPAC Name5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride
SMILESCc1ccc(-c2csc3ncnc(Nc4ccc(N5CCOCC5)cc4)c23)cc1.Cl
InChIInChI=1S/C23H22N4OS.ClH/c1-16-2-4-17(5-3-16)20-14-29-23-21(20)22(24-15-25-23)26-18-6-8-19(9-7-18)27-10-12-28-13-11-27;/h2-9,14-15H,10-13H2,1H3,(H,24,25,26);1H
InChIKeyHLSMANMCYBNLQF-UHFFFAOYSA-N
XLogP5.67
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.98
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride 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-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The IUPAC name of 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride (CID 2921859) is 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride.
What is the SMILES notation for 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The canonical SMILES for 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is Cc1ccc(-c2csc3ncnc(Nc4ccc(N5CCOCC5)cc4)c23)cc1.Cl.
What is the InChIKey of 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
The InChIKey is HLSMANMCYBNLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS.ClH/c1-16-2-4-17(5-3-16)20-14-29-23-21(20)22(24-15-25-23)26-18-6-8-19(9-7-18)27-10-12-28-13-11-27;/h2-9,14-15H,10-13H2,1H3,(H,24,25,26);1H.
What are the key properties of 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride?
5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride has a molecular weight of 438.98 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)thieno[2,3-d]pyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 2921859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).