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

C18H19Cl2N5OS — CID 17484865

IUPAC2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCc1sc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)nc(N)c2c1C
InChIInChI=1S/C18H19Cl2N5OS/c1-9-10(2)27-18-15(9)17(21)22-13(23-18)7-25(3)8-14(26)24-16-11(19)5-4-6-12(16)20/h4-6H,7-8H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyXNDWATVSQUKEOE-UHFFFAOYSA-N
MW424.36 g/mol
LogP4.27
Rot. Bonds5

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

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (PubChem CID 17484865) has the molecular formula C18H19Cl2N5OS and a molecular weight of 424.36 g/mol. Its IUPAC name is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
PubChem CID17484865
Molecular FormulaC18H19Cl2N5OS
Molecular Weight424.36 g/mol
Exact Mass423.07
IUPAC Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
SMILESCc1sc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)nc(N)c2c1C
InChIInChI=1S/C18H19Cl2N5OS/c1-9-10(2)27-18-15(9)17(21)22-13(23-18)7-25(3)8-14(26)24-16-11(19)5-4-6-12(16)20/h4-6H,7-8H2,1-3H3,(H,24,26)(H2,21,22,23)
InChIKeyXNDWATVSQUKEOE-UHFFFAOYSA-N
XLogP4.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.36
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-ethylacetamide
CID 62208923
methyl 3-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]propanoate
CID 62013399
N-(2,6-dichlorophenyl)-2-[methyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetamide
CID 18146935
N-(2,6-dichlorophenyl)-2-[methyl-[(2-phenyl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 9287323
N-(2,6-dichlorophenyl)-2-[methyl-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methyl]amino]acetamide
CID 4824916
N-(2,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 9255062
2-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 47070086
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 2699425
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]-N-(3,4-dichlorophenyl)acetamide
CID 9043158
2-[[4-(ethylamino)-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl]methyl-methylamino]acetamide
CID 62183806
ethyl 3-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]propanoate
CID 60704458

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide (CID 17484865) is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is Cc1sc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)nc(N)c2c1C.
What is the InChIKey of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is XNDWATVSQUKEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5OS/c1-9-10(2)27-18-15(9)17(21)22-13(23-18)7-25(3)8-14(26)24-16-11(19)5-4-6-12(16)20/h4-6H,7-8H2,1-3H3,(H,24,26)(H2,21,22,23).
What are the key properties of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide?
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 424.36 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 17484865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).