3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide

C10H15N7O — CID 114143219

IUPAC3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-10(2,3-5(11)18)17-8-6-7(14-4-13-6)15-9(12)16-8/h4H,3H2,1-2H3,(H2,11,18)(H4,12,13,14,15,16,17)
InChIKeyTVMCZZDJAQOSFP-UHFFFAOYSA-N
MW249.28 g/mol
LogP0.00
Rot. Bonds4

About 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide

3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide (PubChem CID 114143219) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
PubChem CID114143219
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)Nc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C10H15N7O/c1-10(2,3-5(11)18)17-8-6-7(14-4-13-6)15-9(12)16-8/h4H,3H2,1-2H3,(H2,11,18)(H4,12,13,14,15,16,17)
InChIKeyTVMCZZDJAQOSFP-UHFFFAOYSA-N
XLogP0.00
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[[2-(propylamino)-7H-purin-6-yl]amino]butanamide
CID 106098807
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
3-[(2-amino-7H-purin-6-yl)amino]propanamide
CID 114783932
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667
3-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanamide
CID 136671882
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide (CID 114143219) is 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide is CC(C)(CC(N)=O)Nc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide?
The InChIKey is TVMCZZDJAQOSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-10(2,3-5(11)18)17-8-6-7(14-4-13-6)15-9(12)16-8/h4H,3H2,1-2H3,(H2,11,18)(H4,12,13,14,15,16,17).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide?
3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide has a molecular weight of 249.28 g/mol, XLogP of 0.00, 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]-3-methylbutanamide is sourced from PubChem (CID 114143219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).