N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

C19H22N4OS — CID 9110827

IUPACN-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc(C)c(C)c23)c1
InChIInChI=1S/C19H22N4OS/c1-11-6-7-12(2)15(8-11)22-16(24)9-23(5)18-17-13(3)14(4)25-19(17)21-10-20-18/h6-8,10H,9H2,1-5H3,(H,22,24)
InChIKeyRBASMLTWQDLBBX-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.00
Rot. Bonds4

About N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide

N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (PubChem CID 9110827) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
PubChem CID9110827
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
SMILESCc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc(C)c(C)c23)c1
InChIInChI=1S/C19H22N4OS/c1-11-6-7-12(2)15(8-11)22-16(24)9-23(5)18-17-13(3)14(4)25-19(17)21-10-20-18/h6-8,10H,9H2,1-5H3,(H,22,24)
InChIKeyRBASMLTWQDLBBX-UHFFFAOYSA-N
XLogP4.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]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

N-(4-bromo-2-methylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 26454367
2-[(3,5-dichloro-2-pyridinyl)-methylamino]-N-(2,5-dimethylphenyl)acetamide
CID 4822719
ethyl 5-methyl-4-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]thieno[2,3-d]pyrimidine-6-carboxylate
CID 26455008
methyl 3-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]propanoate
CID 62006529
methyl 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]butanoate
CID 62004622
N-(2,3-dimethylphenyl)-2-[methyl-[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 9195581
N-(2-chloropropyl)-N,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 63392466
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methyl-5-nitrophenyl)acetamide
CID 3137192
N-methyl-2-[methyl-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]acetamide
CID 8566197
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 711233
N-(2,3-dimethylphenyl)-2-[(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide
CID 18269123
N,N,5,6-tetramethylthieno[2,3-d]pyrimidin-4-amine;hydrochloride
CID 146120860

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide (CID 9110827) is N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc(C)c(C)c23)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
The InChIKey is RBASMLTWQDLBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c1-11-6-7-12(2)15(8-11)22-16(24)9-23(5)18-17-13(3)14(4)25-19(17)21-10-20-18/h6-8,10H,9H2,1-5H3,(H,22,24).
What are the key properties of N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide?
N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide has a molecular weight of 354.48 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-methylamino]acetamide is sourced from PubChem (CID 9110827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).