2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide

C15H13ClN4OS — CID 145402038

IUPAC2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C15H13ClN4OS/c16-15-19-13(10-6-7-22-14(10)20-15)18-11(12(17)21)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,17,21)(H,18,19,20)
InChIKeyKGJZHTGEVUEKDB-UHFFFAOYSA-N
MW332.82 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide

2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide (PubChem CID 145402038) has the molecular formula C15H13ClN4OS and a molecular weight of 332.82 g/mol. Its IUPAC name is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
PubChem CID145402038
Molecular FormulaC15H13ClN4OS
Molecular Weight332.82 g/mol
Exact Mass332.05
IUPAC Name2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide
SMILESNC(=O)C(Cc1ccccc1)Nc1nc(Cl)nc2sccc12
InChIInChI=1S/C15H13ClN4OS/c16-15-19-13(10-6-7-22-14(10)20-15)18-11(12(17)21)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,17,21)(H,18,19,20)
InChIKeyKGJZHTGEVUEKDB-UHFFFAOYSA-N
XLogP2.85
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.82
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 103322519
2-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]-3-phenylpropanoic acid
CID 22693097
3-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106279572
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
2-chloro-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103322551
2-[4-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 106193237
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-N-ethylacetamide
CID 103320684
(2S)-2-[(2-chloro-5-ethoxycarbonylpyrimidin-4-yl)amino]-3-phenylpropanoic acid
CID 90837125
2-chloro-N-[(4-chlorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103320451
(2S)-2-[(6-bromo-4-methyl-3-oxopyrazin-2-yl)amino]-3-phenylpropanamide
CID 155662554
1-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-methylbutan-2-ol
CID 103322549

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide?
The IUPAC name of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide (CID 145402038) is 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide.
What is the SMILES notation for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide?
The canonical SMILES for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide is NC(=O)C(Cc1ccccc1)Nc1nc(Cl)nc2sccc12.
What is the InChIKey of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide?
The InChIKey is KGJZHTGEVUEKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4OS/c16-15-19-13(10-6-7-22-14(10)20-15)18-11(12(17)21)8-9-4-2-1-3-5-9/h1-7,11H,8H2,(H2,17,21)(H,18,19,20).
What are the key properties of 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide?
2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide has a molecular weight of 332.82 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)amino]-3-phenylpropanamide is sourced from PubChem (CID 145402038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).