2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

C18H16N4O2S — CID 4664169

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H16N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h1-11H,12,19H2,(H,20,24)
InChIKeySZKRFIYRCWIMSY-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.55
Rot. Bonds5

About 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (PubChem CID 4664169) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
PubChem CID4664169
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C18H16N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h1-11H,12,19H2,(H,20,24)
InChIKeySZKRFIYRCWIMSY-UHFFFAOYSA-N
XLogP2.55
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide (CID 4664169) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is Nc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
The InChIKey is SZKRFIYRCWIMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c19-15-11-16(23)21-18(22(15)14-9-5-2-6-10-14)25-12-17(24)20-13-7-3-1-4-8-13/h1-11H,12,19H2,(H,20,24).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide has a molecular weight of 352.42 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide is sourced from PubChem (CID 4664169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).