N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

C16H18N6OS — CID 51089042

IUPACN-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(Cc1cccs1)C1CC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H18N6OS/c1-21(16-14-15(18-9-17-14)19-10-20-16)8-13(23)22(11-4-5-11)7-12-3-2-6-24-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,19,20)
InChIKeyMRXCJLKGZCMOIT-UHFFFAOYSA-N
MW342.43 g/mol
LogP2.04
Rot. Bonds6

About N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide

N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 51089042) has the molecular formula C16H18N6OS and a molecular weight of 342.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID51089042
Molecular FormulaC16H18N6OS
Molecular Weight342.43 g/mol
Exact Mass342.13
IUPAC NameN-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(CC(=O)N(Cc1cccs1)C1CC1)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H18N6OS/c1-21(16-14-15(18-9-17-14)19-10-20-16)8-13(23)22(11-4-5-11)7-12-3-2-6-24-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,19,20)
InChIKeyMRXCJLKGZCMOIT-UHFFFAOYSA-N
XLogP2.04
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[methyl(7H-purin-6-yl)amino]-N-piperidin-4-yl-N-propylacetamide
CID 119826160
2-[methyl(7H-purin-6-yl)amino]-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 94078674
N-methyl-N-[(2-methylfuran-3-yl)methyl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 75479909
2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-3-methyl-1-thiophen-2-ylbutyl]acetamide
CID 52520731
N-cyclopropyl-2-piperidin-4-yl-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
CID 119715455
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646151
N-methyl-2-[methyl(7H-purin-6-yl)amino]-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]acetamide
CID 97313750
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610647
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 119413297
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
N-methyl-4-[[2-[methyl(7H-purin-6-yl)amino]acetyl]amino]cyclohexane-1-carboxamide
CID 75480091
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-[methyl(7H-purin-6-yl)amino]ethanone
CID 97314495

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide (CID 51089042) is N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is CN(CC(=O)N(Cc1cccs1)C1CC1)c1ncnc2nc[nH]c12.
What is the InChIKey of N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is MRXCJLKGZCMOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS/c1-21(16-14-15(18-9-17-14)19-10-20-16)8-13(23)22(11-4-5-11)7-12-3-2-6-24-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,19,20).
What are the key properties of N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide?
N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 342.43 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl(7H-purin-6-yl)amino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 51089042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).