2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide

C14H15N7O — CID 167835478

IUPAC2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ncnc3nc[nH]c23)nc1
InChIInChI=1S/C14H15N7O/c1-9-3-4-10(15-5-9)20-11(22)6-21(2)14-12-13(17-7-16-12)18-8-19-14/h3-5,7-8H,6H2,1-2H3,(H,15,20,22)(H,16,17,18,19)
InChIKeyNNZUNJKPUBBERB-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.13
Rot. Bonds4

About 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide

2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 167835478) has the molecular formula C14H15N7O and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID167835478
Molecular FormulaC14H15N7O
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)c2ncnc3nc[nH]c23)nc1
InChIInChI=1S/C14H15N7O/c1-9-3-4-10(15-5-9)20-11(22)6-21(2)14-12-13(17-7-16-12)18-8-19-14/h3-5,7-8H,6H2,1-2H3,(H,15,20,22)(H,16,17,18,19)
InChIKeyNNZUNJKPUBBERB-UHFFFAOYSA-N
XLogP1.13
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 154748178
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479759
N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646818
N-[(1R,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733304
N-[(1S,2S)-2-cyclohexylcyclopropyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 124733305
2-[methyl(7H-purin-6-yl)amino]-N-[[(1S,2S)-2-phenylcyclopropyl]methyl]acetamide
CID 97212185
N-(2-benzylsulfanylethyl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51113708
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
2-[methyl(7H-purin-6-yl)amino]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 75479562
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 166409827
N-[2-(cycloheptylamino)ethyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 119621339
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-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide (CID 167835478) is 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)CN(C)c2ncnc3nc[nH]c23)nc1.
What is the InChIKey of 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is NNZUNJKPUBBERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O/c1-9-3-4-10(15-5-9)20-11(22)6-21(2)14-12-13(17-7-16-12)18-8-19-14/h3-5,7-8H,6H2,1-2H3,(H,15,20,22)(H,16,17,18,19).
What are the key properties of 2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide?
2-[methyl(7H-purin-6-yl)amino]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 297.32 g/mol, XLogP of 1.13, 4 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-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 167835478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).