2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine

C11H16ClN5 — CID 104787368

IUPAC2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
SMILESCCC(C)(C)N(C)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H16ClN5/c1-5-11(2,3)17(4)9-7-8(14-6-13-7)15-10(12)16-9/h6H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyWWILRTKBQXRSJD-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.63
Rot. Bonds3

About 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine

2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine (PubChem CID 104787368) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
PubChem CID104787368
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine
SMILESCCC(C)(C)N(C)c1nc(Cl)nc2nc[nH]c12
InChIInChI=1S/C11H16ClN5/c1-5-11(2,3)17(4)9-7-8(14-6-13-7)15-10(12)16-9/h6H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyWWILRTKBQXRSJD-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-chloro-N-ethyl-N-propan-2-yl-7H-purin-6-amine
CID 104787141
2-chloro-N-(1-methoxypropan-2-yl)-N-methyl-7H-purin-6-amine
CID 104787232
2-chloro-N-methyl-N-(3-methylbutan-2-yl)-7H-purin-6-amine
CID 104787169
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-7H-purin-6-amine
CID 104787282
2-chloro-N-(4-fluorophenyl)-N-methyl-7H-purin-6-amine
CID 104787295
2-chloro-N-methyl-N-(2-methylsulfonylethyl)-7H-purin-6-amine
CID 104787415
2-chloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-7H-purin-6-amine
CID 105419869
N-benzyl-2-chloro-N-ethyl-7H-purin-6-amine
CID 104787062
N-butyl-2-chloro-N-cyclopropyl-7H-purin-6-amine
CID 113453078
2-chloro-N-methyl-N-(pyridin-2-ylmethyl)-7H-purin-6-amine
CID 113453067
2-chloro-N-cyclopropyl-N-(3-methylbutyl)-7H-purin-6-amine
CID 104787270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine?
The IUPAC name of 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine (CID 104787368) is 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine?
The canonical SMILES for 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine is CCC(C)(C)N(C)c1nc(Cl)nc2nc[nH]c12.
What is the InChIKey of 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine?
The InChIKey is WWILRTKBQXRSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-5-11(2,3)17(4)9-7-8(14-6-13-7)15-10(12)16-9/h6H,5H2,1-4H3,(H,13,14,15,16).
What are the key properties of 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine?
2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine has a molecular weight of 253.74 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(2-methylbutan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 104787368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).