2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

C14H16N6OS — CID 94078674

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccs1
InChIInChI=1S/C14H16N6OS/c1-9(10-4-3-5-22-10)19-11(21)6-20(2)14-12-13(16-7-15-12)17-8-18-14/h3-5,7-9H,6H2,1-2H3,(H,19,21)(H,15,16,17,18)/t9-/m0/s1
InChIKeyDPTUVOUAAUNERV-VIFPVBQESA-N
MW316.39 g/mol
LogP1.73
Rot. Bonds5

About 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (PubChem CID 94078674) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
PubChem CID94078674
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
SMILESC[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccs1
InChIInChI=1S/C14H16N6OS/c1-9(10-4-3-5-22-10)19-11(21)6-20(2)14-12-13(16-7-15-12)17-8-18-14/h3-5,7-9H,6H2,1-2H3,(H,19,21)(H,15,16,17,18)/t9-/m0/s1
InChIKeyDPTUVOUAAUNERV-VIFPVBQESA-N
XLogP1.73
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
CID 52520731
N-[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94658120
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 97313739
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
CID 167835478
N-(2-amino-2-ethylbutyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119643710
4-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]butanoic acid
CID 55005745
3-[methyl-[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]propanoic acid
CID 119362648
N-methyl-2-[methyl-[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]acetamide
CID 78824991
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759
N-[2-(3-fluorophenoxy)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479593
2-[5-hydroxypentyl(methyl)amino]-N-(1-thiophen-2-ylethyl)acetamide
CID 107203732
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124627986

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide (CID 94078674) is 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is C[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)c1cccs1.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
The InChIKey is DPTUVOUAAUNERV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N6OS/c1-9(10-4-3-5-22-10)19-11(21)6-20(2)14-12-13(16-7-15-12)17-8-18-14/h3-5,7-9H,6H2,1-2H3,(H,19,21)(H,15,16,17,18)/t9-/m0/s1.
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide has a molecular weight of 316.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 94078674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).