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

C8H11N7O — CID 114783932

IUPAC3-[(2-amino-7H-purin-6-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H11N7O/c9-4(16)1-2-11-6-5-7(13-3-12-5)15-8(10)14-6/h3H,1-2H2,(H2,9,16)(H4,10,11,12,13,14,15)
InChIKeyVZDVGHYFFMDWOY-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.78
Rot. Bonds4

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

3-[(2-amino-7H-purin-6-yl)amino]propanamide (PubChem CID 114783932) has the molecular formula C8H11N7O and a molecular weight of 221.22 g/mol. Its IUPAC name is 3-[(2-amino-7H-purin-6-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-amino-7H-purin-6-yl)amino]propanamide
PubChem CID114783932
Molecular FormulaC8H11N7O
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3-[(2-amino-7H-purin-6-yl)amino]propanamide
SMILESNC(=O)CCNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C8H11N7O/c9-4(16)1-2-11-6-5-7(13-3-12-5)15-8(10)14-6/h3H,1-2H2,(H2,9,16)(H4,10,11,12,13,14,15)
InChIKeyVZDVGHYFFMDWOY-UHFFFAOYSA-N
XLogP-0.78
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
3-[(2-amino-7H-purin-6-yl)amino]-N-tert-butylpropanamide
CID 104623604
5-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypentanamide
CID 127025055
6-N-propyl-7H-purine-2,6-diamine
CID 22916641
5-[(2-amino-7H-purin-6-yl)amino]pentan-2-ol
CID 107269141
3-[(2-amino-7H-purin-6-yl)amino]-3-methylbutanamide
CID 114143219
4-[2-[(2-amino-7H-purin-6-yl)amino]ethyl]phenol
CID 104623404
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
3-[(2-amino-7H-purin-6-yl)amino]propyl-trimethylazanium
CID 140616341
2-[(2-amino-7H-purin-6-yl)amino]-N-ethyl-N-methylacetamide
CID 104925667
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
6-N-(2-prop-2-enylsulfanylethyl)-7H-purine-2,6-diamine
CID 104623515

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propanamide?
The IUPAC name of 3-[(2-amino-7H-purin-6-yl)amino]propanamide (CID 114783932) is 3-[(2-amino-7H-purin-6-yl)amino]propanamide.
What is the SMILES notation for 3-[(2-amino-7H-purin-6-yl)amino]propanamide?
The canonical SMILES for 3-[(2-amino-7H-purin-6-yl)amino]propanamide is NC(=O)CCNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 3-[(2-amino-7H-purin-6-yl)amino]propanamide?
The InChIKey is VZDVGHYFFMDWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O/c9-4(16)1-2-11-6-5-7(13-3-12-5)15-8(10)14-6/h3H,1-2H2,(H2,9,16)(H4,10,11,12,13,14,15).
What are the key properties of 3-[(2-amino-7H-purin-6-yl)amino]propanamide?
3-[(2-amino-7H-purin-6-yl)amino]propanamide has a molecular weight of 221.22 g/mol, XLogP of -0.78, 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]propanamide is sourced from PubChem (CID 114783932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).