2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

C26H27N5O3S — CID 2534913

IUPAC2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C26H27N5O3S/c1-30(16-23(32)27-19-7-9-20(10-8-19)31-11-13-34-14-12-31)15-22-28-25(33)24-21(17-35-26(24)29-22)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyLFLIDKYITKFCGT-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.56
Rot. Bonds7

About 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide

2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 2534913) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID2534913
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC Name2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
InChIInChI=1S/C26H27N5O3S/c1-30(16-23(32)27-19-7-9-20(10-8-19)31-11-13-34-14-12-31)15-22-28-25(33)24-21(17-35-26(24)29-22)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,27,32)(H,28,29,33)
InChIKeyLFLIDKYITKFCGT-UHFFFAOYSA-N
XLogP3.56
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide 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

2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8784607
2-[methyl(thiophen-2-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592090
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
2-[(2-acetamido-1,3-thiazol-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55354460
N-(4-chlorophenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide
CID 35351047
2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
2-[1,3-benzoxazol-2-ylmethyl(methyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4806660
N-(2-chlorophenyl)-2-[[5-(furan-2-yl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 18197551
N',N'-dimethyl-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetohydrazide
CID 9179495
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592798
2-[methyl-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55439428
2-[[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 31429885

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide (CID 2534913) is 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1.
What is the InChIKey of 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is LFLIDKYITKFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c1-30(16-23(32)27-19-7-9-20(10-8-19)31-11-13-34-14-12-31)15-22-28-25(33)24-21(17-35-26(24)29-22)18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,27,32)(H,28,29,33).
What are the key properties of 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 489.60 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 2534913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).