2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide

C11H10N8O2S — CID 166565074

IUPAC2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESNc1nc(SCC(=O)Nc2nccc(=O)[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N8O2S/c12-10-18-8-7(14-4-15-8)9(19-10)22-3-6(21)17-11-13-2-1-5(20)16-11/h1-2,4H,3H2,(H3,12,14,15,18,19)(H2,13,16,17,20,21)
InChIKeyKGLDTXDUEIZIEV-UHFFFAOYSA-N
MW318.32 g/mol
LogP-0.25
Rot. Bonds4

About 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide

2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 166565074) has the molecular formula C11H10N8O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID166565074
Molecular FormulaC11H10N8O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESNc1nc(SCC(=O)Nc2nccc(=O)[nH]2)c2[nH]cnc2n1
InChIInChI=1S/C11H10N8O2S/c12-10-18-8-7(14-4-15-8)9(19-10)22-3-6(21)17-11-13-2-1-5(20)16-11/h1-2,4H,3H2,(H3,12,14,15,18,19)(H2,13,16,17,20,21)
InChIKeyKGLDTXDUEIZIEV-UHFFFAOYSA-N
XLogP-0.25
TPSA155.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide (CID 166565074) is 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide is Nc1nc(SCC(=O)Nc2nccc(=O)[nH]2)c2[nH]cnc2n1.
What is the InChIKey of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is KGLDTXDUEIZIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O2S/c12-10-18-8-7(14-4-15-8)9(19-10)22-3-6(21)17-11-13-2-1-5(20)16-11/h1-2,4H,3H2,(H3,12,14,15,18,19)(H2,13,16,17,20,21).
What are the key properties of 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide?
2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 318.32 g/mol, XLogP of -0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-7H-purin-6-yl)sulfanyl]-N-(6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 166565074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).