2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

C15H16N6OS — CID 858560

IUPAC2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c(C)c1
InChIInChI=1S/C15H16N6OS/c1-8-3-4-10(9(2)5-8)19-11(22)6-23-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
InChIKeyYMWADTNFYPZCJW-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.28
Rot. Bonds4

About 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide

2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 858560) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
PubChem CID858560
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c(C)c1
InChIInChI=1S/C15H16N6OS/c1-8-3-4-10(9(2)5-8)19-11(22)6-23-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)
InChIKeyYMWADTNFYPZCJW-UHFFFAOYSA-N
XLogP2.28
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-[(6-amino-7H-purin-8-yl)sulfanyl]acetyl]amino]phenyl]propanamide
CID 3365716
N-(2,4-dimethylphenyl)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135399216
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-phenylacetamide
CID 858758
N-(3-acetamidophenyl)-2-[(6-amino-7H-purin-8-yl)sulfanyl]acetamide
CID 4664940
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 1468356
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,5-diethoxyphenyl)acetamide
CID 5014230
N-[4-amino-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-methylbenzamide
CID 135705811
N-(2,4-dimethylphenyl)-2-[(6-methyl-4-oxo-3,5-dihydropyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135630771
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 24793625
N-(2,4-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135680917
2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenylethanone
CID 858577
N-(2,4-dimethylphenyl)-2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595610

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide (CID 858560) is 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CSc2nc3ncnc(N)c3[nH]2)c(C)c1.
What is the InChIKey of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is YMWADTNFYPZCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-8-3-4-10(9(2)5-8)19-11(22)6-23-15-20-12-13(16)17-7-18-14(12)21-15/h3-5,7H,6H2,1-2H3,(H,19,22)(H3,16,17,18,20,21).
What are the key properties of 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide?
2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 328.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 858560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).