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

C18H15ClN4O2S — CID 4681455

IUPAC2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)21-17(25)11-26-18-22-16(24)10-15(20)23(18)12-6-2-1-3-7-12/h1-10H,11,20H2,(H,21,25)
InChIKeySTPRLOOPKVSSMK-UHFFFAOYSA-N
MW386.86 g/mol
LogP3.20
Rot. Bonds5

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

2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide (PubChem CID 4681455) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide
PubChem CID4681455
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC Name2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1
InChIInChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)21-17(25)11-26-18-22-16(24)10-15(20)23(18)12-6-2-1-3-7-12/h1-10H,11,20H2,(H,21,25)
InChIKeySTPRLOOPKVSSMK-UHFFFAOYSA-N
XLogP3.20
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 53.20
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-(2-chlorophenyl)acetamide?
The IUPAC name of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide (CID 4681455) is 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide.
What is the SMILES notation for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide?
The canonical SMILES for 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide is Nc1cc(=O)nc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1.
What is the InChIKey of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide?
The InChIKey is STPRLOOPKVSSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c19-13-8-4-5-9-14(13)21-17(25)11-26-18-22-16(24)10-15(20)23(18)12-6-2-1-3-7-12/h1-10H,11,20H2,(H,21,25).
What are the key properties of 2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide?
2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide has a molecular weight of 386.86 g/mol, XLogP of 3.20, 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-(2-chlorophenyl)acetamide is sourced from PubChem (CID 4681455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).