6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine

C12H20N6 — CID 114784841

IUPAC6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC(C)(C)C)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6/c1-12(2,3)6-18(5)10-8-9(15-7-14-8)16-11(13-4)17-10/h7H,6H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyLPBZAMGVJLESOM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.88
Rot. Bonds3

About 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine

6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine (PubChem CID 114784841) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
PubChem CID114784841
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
SMILESCNc1nc(N(C)CC(C)(C)C)c2[nH]cnc2n1
InChIInChI=1S/C12H20N6/c1-12(2,3)6-18(5)10-8-9(15-7-14-8)16-11(13-4)17-10/h7H,6H2,1-5H3,(H2,13,14,15,16,17)
InChIKeyLPBZAMGVJLESOM-UHFFFAOYSA-N
XLogP1.88
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N,6-N-diethyl-2-N-methyl-7H-purine-2,6-diamine
CID 114783569
5-[methyl-[2-(methylamino)-7H-purin-6-yl]amino]pentan-1-ol
CID 107207561
2-N,6-N-dimethyl-6-N-(oxan-4-ylmethyl)-7H-purine-2,6-diamine
CID 114785237
6-N-(furan-2-ylmethyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114783888
2-N,6-N-dimethyl-6-N-[(1-methylpiperidin-4-yl)methyl]-7H-purine-2,6-diamine
CID 114785144
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
1-[(2-chloro-7H-purin-6-yl)-methylamino]-2-methylpropan-2-ol
CID 104697884
2-N,6-N-dimethyl-6-N-(1-methylsulfanylbutan-2-yl)-7H-purine-2,6-diamine
CID 114786019
2-N,6-N-dimethyl-6-N-(1-methylpiperidin-4-yl)-7H-purine-2,6-diamine
CID 114783544
6-N-(cyclopropylmethyl)-6-N-methyl-2-N-propyl-7H-purine-2,6-diamine
CID 114784058
6-N-methyl-6-N-(2-methylsulfanylethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114786012
6-N-methyl-6-N-(2-methylbutyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783815

Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine (CID 114784841) is 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine is CNc1nc(N(C)CC(C)(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
The InChIKey is LPBZAMGVJLESOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-12(2,3)6-18(5)10-8-9(15-7-14-8)16-11(13-4)17-10/h7H,6H2,1-5H3,(H2,13,14,15,16,17).
What are the key properties of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine?
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine has a molecular weight of 248.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114784841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).