7H-purin-6-amine;1,3-selenazole-2-carboxamide

C9H9N7OSe — CID 87994034

IUPAC7H-purin-6-amine;1,3-selenazole-2-carboxamide
SMILESNC(=O)c1ncc[se]1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C4H4N2OSe/c6-4-3-5(9-1-7-3)10-2-8-4;5-3(7)4-6-1-2-8-4/h1-2H,(H3,6,7,8,9,10);1-2H,(H2,5,7)
InChIKeyAOSDQBKJKQJCRT-UHFFFAOYSA-N
MW310.18 g/mol
LogP-0.83
Rot. Bonds1

About 7H-purin-6-amine;1,3-selenazole-2-carboxamide

7H-purin-6-amine;1,3-selenazole-2-carboxamide (PubChem CID 87994034) has the molecular formula C9H9N7OSe and a molecular weight of 310.18 g/mol. Its IUPAC name is 7H-purin-6-amine;1,3-selenazole-2-carboxamide.

Molecular Properties

Compound Name7H-purin-6-amine;1,3-selenazole-2-carboxamide
PubChem CID87994034
Molecular FormulaC9H9N7OSe
Molecular Weight310.18 g/mol
Exact Mass311.00
IUPAC Name7H-purin-6-amine;1,3-selenazole-2-carboxamide
SMILESNC(=O)c1ncc[se]1.Nc1ncnc2nc[nH]c12
InChIInChI=1S/C5H5N5.C4H4N2OSe/c6-4-3-5(9-1-7-3)10-2-8-4;5-3(7)4-6-1-2-8-4/h1-2H,(H3,6,7,8,9,10);1-2H,(H2,5,7)
InChIKeyAOSDQBKJKQJCRT-UHFFFAOYSA-N
XLogP-0.83
TPSA136.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
benzamide;7H-purin-6-amine
CID 66705736
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
bis(7H-purin-6-amine);sulfate
CID 23616791
5-aminopyridine-3-carboxamide;7H-purin-6-amine
CID 22262480
methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
sodium;2-hydroxypropanoate;7H-purin-6-amine
CID 175024161
4-(4-aminophenyl)aniline;7H-purin-6-amine
CID 160907606
octadecanoic acid;7H-purin-6-amine
CID 141436047
2-(methylamino)-3-sulfanylpropanoic acid;7H-purin-6-amine
CID 174836451

Frequently Asked Questions

What is the IUPAC name of 7H-purin-6-amine;1,3-selenazole-2-carboxamide?
The IUPAC name of 7H-purin-6-amine;1,3-selenazole-2-carboxamide (CID 87994034) is 7H-purin-6-amine;1,3-selenazole-2-carboxamide.
What is the SMILES notation for 7H-purin-6-amine;1,3-selenazole-2-carboxamide?
The canonical SMILES for 7H-purin-6-amine;1,3-selenazole-2-carboxamide is NC(=O)c1ncc[se]1.Nc1ncnc2nc[nH]c12.
What is the InChIKey of 7H-purin-6-amine;1,3-selenazole-2-carboxamide?
The InChIKey is AOSDQBKJKQJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5.C4H4N2OSe/c6-4-3-5(9-1-7-3)10-2-8-4;5-3(7)4-6-1-2-8-4/h1-2H,(H3,6,7,8,9,10);1-2H,(H2,5,7).
What are the key properties of 7H-purin-6-amine;1,3-selenazole-2-carboxamide?
7H-purin-6-amine;1,3-selenazole-2-carboxamide has a molecular weight of 310.18 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purin-6-amine;1,3-selenazole-2-carboxamide is sourced from PubChem (CID 87994034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).