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

C16H24N6O — CID 51089004

IUPACN-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H24N6O/c1-21(8-12-6-4-3-5-7-12)13(23)9-22(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20)
InChIKeyWGWFCMXAOZYVFK-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.83
Rot. Bonds5

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

N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (PubChem CID 51089004) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
PubChem CID51089004
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide
SMILESCN(CC1CCCCC1)C(=O)CN(C)c1ncnc2nc[nH]c12
InChIInChI=1S/C16H24N6O/c1-21(8-12-6-4-3-5-7-12)13(23)9-22(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20)
InChIKeyWGWFCMXAOZYVFK-UHFFFAOYSA-N
XLogP1.83
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(9h-Purin-6-Yl)piperidin-4-Yl]methanamine
CID 11708454
9-(cyclohexylmethyl)-6-(hexylamino)-9H-purine-2-carbonitrile
CID 24778051
N-cyclohexyl-N-methyl-7H-purin-6-amine
CID 2155057
2-chloranyl-9-(cyclohexylmethyl)-~{N}-methyl-purin-6-amine
CID 167889300
6-(4-Methylpiperidin-1-yl)-9H-purine
CID 756692
1-cyclohexyl-3-(7H-purin-6-yl)urea
CID 3815754
3-oxo-3-[9-(7H-purin-6-yl)-1,9-diazaspiro[4.5]decan-1-yl]propanenitrile
CID 58293343
3-oxo-3-[2-(7H-purin-6-yl)-2,6-diazaspiro[4.5]decan-6-yl]propanenitrile
CID 58293401
1-(7H-purin-6-yl)piperidine-4-carboxamide
CID 756695
N(6)-carbamoylmethyladenine
CID 14778352
N-Purin-6-ylnonanamide
CID 52916
N-(3,3,5-trimethylcyclohexyl)-9H-purin-6-amine
CID 5064557

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide (CID 51089004) is N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is CN(CC1CCCCC1)C(=O)CN(C)c1ncnc2nc[nH]c12.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
The InChIKey is WGWFCMXAOZYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21(8-12-6-4-3-5-7-12)13(23)9-22(2)16-14-15(18-10-17-14)19-11-20-16/h10-12H,3-9H2,1-2H3,(H,17,18,19,20).
What are the key properties of N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide?
N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide has a molecular weight of 316.41 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-2-[methyl(7H-purin-6-yl)amino]acetamide is sourced from PubChem (CID 51089004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).