3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide

C12H19N7O — CID 104623604

IUPAC3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-12(2,3)19-7(20)4-5-14-9-8-10(16-6-15-8)18-11(13)17-9/h6H,4-5H2,1-3H3,(H,19,20)(H4,13,14,15,16,17,18)
InChIKeyJOVSBQVVLCLPLY-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.65
Rot. Bonds4

About 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide

3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide (PubChem CID 104623604) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
PubChem CID104623604
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
SMILESCC(C)(C)NC(=O)CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C12H19N7O/c1-12(2,3)19-7(20)4-5-14-9-8-10(16-6-15-8)18-11(13)17-9/h6H,4-5H2,1-3H3,(H,19,20)(H4,13,14,15,16,17,18)
InChIKeyJOVSBQVVLCLPLY-UHFFFAOYSA-N
XLogP0.65
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697631
3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
CID 114143219
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-N-tert-butylpropanamide
CID 113411173
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide (CID 104623604) is 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide is CC(C)(C)NC(=O)CCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide?
The InChIKey is JOVSBQVVLCLPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-12(2,3)19-7(20)4-5-14-9-8-10(16-6-15-8)18-11(13)17-9/h6H,4-5H2,1-3H3,(H,19,20)(H4,13,14,15,16,17,18).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide?
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide has a molecular weight of 277.33 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 104623604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).