2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

C12H12N4O2S — CID 135408323

IUPAC2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H12N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H3,13,15,16,17)
InChIKeyUXCVLUFUJKHDBV-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.08
Rot. Bonds4

About 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide

2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135408323) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID135408323
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESNc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C12H12N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H3,13,15,16,17)
InChIKeyUXCVLUFUJKHDBV-UHFFFAOYSA-N
XLogP1.08
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 135408323) is 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is Nc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is UXCVLUFUJKHDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-9-6-10(17)16-12(15-9)19-7-11(18)14-8-4-2-1-3-5-8/h1-6H,7H2,(H,14,18)(H3,13,15,16,17).
What are the key properties of 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 276.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135408323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).