2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one

C19H15N5O2S — CID 135566684

IUPAC2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)
InChIKeyJPQMPGXXKRYOGX-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.87
Rot. Bonds5

About 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one

2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one (PubChem CID 135566684) has the molecular formula C19H15N5O2S and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one.

Molecular Properties

Compound Name2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one
PubChem CID135566684
Molecular FormulaC19H15N5O2S
Molecular Weight377.43 g/mol
Exact Mass377.09
IUPAC Name2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one
SMILESNc1nc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c(=O)[nH]1
InChIInChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26)
InChIKeyJPQMPGXXKRYOGX-UHFFFAOYSA-N
XLogP2.87
TPSA117.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N'-[[(Z)-1-phenyl-2-sulfanylethenyl]amino]acetohydrazide
CID 143047229
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N,N-dimethylacetamide
CID 137225021
2-[(6-amino-7H-purin-8-yl)sulfanyl]-1-phenylethanone
CID 858577
2-[(5,6-difluoro-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 1046644
2-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,7-dihydropurin-6-one
CID 135525865
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3-methylphenyl)acetamide
CID 135461607
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 2438978
2-[(2-amino-6-oxo-1,7-dihydropurin-8-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
CID 135464811
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-1-(4-phenylphenyl)ethanone
CID 2858387
1-(4-aminophenyl)-2-(1H-benzo[f]benzimidazol-2-ylsulfanyl)ethanone
CID 67473771
2-amino-8-[(2-nitrophenyl)methylsulfanyl]-1,7-dihydropurin-6-one
CID 137224982
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-5-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2076307

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one?
The IUPAC name of 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one (CID 135566684) is 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one.
What is the SMILES notation for 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one?
The canonical SMILES for 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one is Nc1nc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2c(=O)[nH]1.
What is the InChIKey of 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one?
The InChIKey is JPQMPGXXKRYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2S/c20-18-22-16-15(17(26)24-18)21-19(23-16)27-10-14(25)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H4,20,21,22,23,24,26).
What are the key properties of 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one?
2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one has a molecular weight of 377.43 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,7-dihydropurin-6-one is sourced from PubChem (CID 135566684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).