6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine

C13H23N7 — CID 114783680

IUPAC6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(NCC(C)(C)CN(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H23N7/c1-13(2,7-20(4)5)6-15-10-9-11(17-8-16-9)19-12(14-3)18-10/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18,19)
InChIKeyKPNZZBDFFDKGST-UHFFFAOYSA-N
MW277.38 g/mol
LogP1.39
Rot. Bonds6

About 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine

6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine (PubChem CID 114783680) has the molecular formula C13H23N7 and a molecular weight of 277.38 g/mol. Its IUPAC name is 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
PubChem CID114783680
Molecular FormulaC13H23N7
Molecular Weight277.38 g/mol
Exact Mass277.20
IUPAC Name6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
SMILESCNc1nc(NCC(C)(C)CN(C)C)c2[nH]cnc2n1
InChIInChI=1S/C13H23N7/c1-13(2,7-20(4)5)6-15-10-9-11(17-8-16-9)19-12(14-3)18-10/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18,19)
InChIKeyKPNZZBDFFDKGST-UHFFFAOYSA-N
XLogP1.39
TPSA81.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethyl-7H-purine-2,6-diamine
CID 114784841
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
2-ethyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]butan-1-ol
CID 114785002
6-N-(2,2-dimethylpropyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114784070
[1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclopropyl]methanol
CID 114785788
2-N-methyl-6-N-(3-methylsulfinylpropyl)-7H-purine-2,6-diamine
CID 114786408
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine (CID 114783680) is 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine is CNc1nc(NCC(C)(C)CN(C)C)c2[nH]cnc2n1.
What is the InChIKey of 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine?
The InChIKey is KPNZZBDFFDKGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N7/c1-13(2,7-20(4)5)6-15-10-9-11(17-8-16-9)19-12(14-3)18-10/h8H,6-7H2,1-5H3,(H3,14,15,16,17,18,19).
What are the key properties of 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine?
6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine has a molecular weight of 277.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine is sourced from PubChem (CID 114783680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).