N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide

C12H19N7O — CID 106280666

IUPACN,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-12(2,10(20)13-3)5-15-8-7-9(17-6-16-7)19-11(14-4)18-8/h6H,5H2,1-4H3,(H,13,20)(H3,14,15,16,17,18,19)
InChIKeyFABAGAAZAWBRAG-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.58
Rot. Bonds5

About N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide

N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide (PubChem CID 106280666) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
PubChem CID106280666
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
SMILESCNC(=O)C(C)(C)CNc1nc(NC)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-12(2,10(20)13-3)5-15-8-7-9(17-6-16-7)19-11(14-4)18-8/h6H,5H2,1-4H3,(H,13,20)(H3,14,15,16,17,18,19)
InChIKeyFABAGAAZAWBRAG-UHFFFAOYSA-N
XLogP0.58
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-N-methyl-7H-purine-2,6-diamine
CID 114783680
N,2,2-trimethyl-3-[[6-(methylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]propanamide
CID 106280704
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
2-N-ethyl-6-N-(2,2,2-trifluoroethyl)-7H-purine-2,6-diamine
CID 114783696
3-[(2-chloro-7H-purin-6-yl)amino]-2,2-dimethylpropanamide
CID 106279554
[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
2-N-methyl-6-N-[(2-methylcyclopropyl)methyl]-7H-purine-2,6-diamine
CID 114786287
3-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]pentan-1-ol
CID 114785692
1-[[[2-(methylamino)-7H-purin-6-yl]amino]methyl]cyclohexan-1-ol
CID 114785448

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide (CID 106280666) is N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide is CNC(=O)C(C)(C)CNc1nc(NC)nc2nc[nH]c12.
What is the InChIKey of N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The InChIKey is FABAGAAZAWBRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-12(2,10(20)13-3)5-15-8-7-9(17-6-16-7)19-11(14-4)18-8/h6H,5H2,1-4H3,(H,13,20)(H3,14,15,16,17,18,19).
What are the key properties of N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide has a molecular weight of 277.33 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide is sourced from PubChem (CID 106280666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).