4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide

C17H27N5O — CID 70962567

IUPAC4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide
SMILESCCC(C)CC(C(=O)Nc1ncnc2nc[nH]c12)C(C)(C)CC
InChIInChI=1S/C17H27N5O/c1-6-11(3)8-12(17(4,5)7-2)16(23)22-15-13-14(19-9-18-13)20-10-21-15/h9-12H,6-8H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyTUVJGZHZIGHAIV-UHFFFAOYSA-N
MW317.44 g/mol
LogP3.78
Rot. Bonds7

About 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide

4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide (PubChem CID 70962567) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide.

Molecular Properties

Compound Name4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide
PubChem CID70962567
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide
SMILESCCC(C)CC(C(=O)Nc1ncnc2nc[nH]c12)C(C)(C)CC
InChIInChI=1S/C17H27N5O/c1-6-11(3)8-12(17(4,5)7-2)16(23)22-15-13-14(19-9-18-13)20-10-21-15/h9-12H,6-8H2,1-5H3,(H2,18,19,20,21,22,23)
InChIKeyTUVJGZHZIGHAIV-UHFFFAOYSA-N
XLogP3.78
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
2-[(7H-purin-6-ylamino)methyl]butanoic acid
CID 65226734
N-(3-ethyl-2,4-dimethylpentan-3-yl)-7H-purin-6-amine
CID 131972661
N-(3-ethyl-2-methylpentan-3-yl)-7H-purin-6-amine
CID 129151813
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
(2S)-2-(7H-purin-6-ylcarbamoylamino)propanoic acid
CID 131853482
tert-butyl N-methyl-N-[3-oxo-3-(7H-purin-6-ylamino)propyl]carbamate
CID 44600958
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 2-(2,6-dichlorophenyl)acetate
CID 24573239
[1-oxo-1-(7H-purin-6-ylamino)propan-2-yl] 3-aminopyrazine-2-carboxylate
CID 22108606
2-methyl-N-(7H-purin-6-yl)prop-2-enamide
CID 142419518
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide?
The IUPAC name of 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide (CID 70962567) is 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide.
What is the SMILES notation for 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide?
The canonical SMILES for 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide is CCC(C)CC(C(=O)Nc1ncnc2nc[nH]c12)C(C)(C)CC.
What is the InChIKey of 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide?
The InChIKey is TUVJGZHZIGHAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-6-11(3)8-12(17(4,5)7-2)16(23)22-15-13-14(19-9-18-13)20-10-21-15/h9-12H,6-8H2,1-5H3,(H2,18,19,20,21,22,23).
What are the key properties of 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide?
4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide has a molecular weight of 317.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylbutan-2-yl)-N-(7H-purin-6-yl)hexanamide is sourced from PubChem (CID 70962567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).