2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide

C11H11N7OS — CID 87370042

IUPAC2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.Nc1nc(=S)c2[nH]cnc2[nH]1
InChIInChI=1S/C6H6N2O.C5H5N5S/c7-6(9)5-2-1-3-8-4-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-4H,(H2,7,9);1H,(H4,6,7,8,9,10,11)
InChIKeyBATGRBMPRGJUMM-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.78
Rot. Bonds1

About 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide

2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide (PubChem CID 87370042) has the molecular formula C11H11N7OS and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide
PubChem CID87370042
Molecular FormulaC11H11N7OS
Molecular Weight289.32 g/mol
Exact Mass289.07
IUPAC Name2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1.Nc1nc(=S)c2[nH]cnc2[nH]1
InChIInChI=1S/C6H6N2O.C5H5N5S/c7-6(9)5-2-1-3-8-4-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-4H,(H2,7,9);1H,(H4,6,7,8,9,10,11)
InChIKeyBATGRBMPRGJUMM-UHFFFAOYSA-N
XLogP0.78
TPSA139.36 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
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CID 162030735
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
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CID 66766032
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CID 69110411
6-amino-1H-pyrimidin-2-one;pyridine-3-carboxamide
CID 129308158
hexane-1,2,3,4,5,6-hexol;7H-purin-6-amine;pyridine-3-carboxamide
CID 68901215
butanedioic acid;pyridine-3-carboxamide
CID 159465776
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CID 70159642

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide?
The IUPAC name of 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide (CID 87370042) is 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide?
The canonical SMILES for 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide is NC(=O)c1cccnc1.Nc1nc(=S)c2[nH]cnc2[nH]1.
What is the InChIKey of 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide?
The InChIKey is BATGRBMPRGJUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O.C5H5N5S/c7-6(9)5-2-1-3-8-4-5;6-5-9-3-2(4(11)10-5)7-1-8-3/h1-4H,(H2,7,9);1H,(H4,6,7,8,9,10,11).
What are the key properties of 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide?
2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide has a molecular weight of 289.32 g/mol, XLogP of 0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,7-dihydropurine-6-thione;pyridine-3-carboxamide is sourced from PubChem (CID 87370042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).