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

C20H20N4O2S — CID 5301121

IUPAC2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C20H20N4O2S/c21-17-13-18(25)23-20(24(17)12-11-15-7-3-1-4-8-15)27-14-19(26)22-16-9-5-2-6-10-16/h1-10,13H,11-12,14,21H2,(H,22,26)
InChIKeyRPOOCXMYAIVDDT-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.80
Rot. Bonds7

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

2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide (PubChem CID 5301121) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
PubChem CID5301121
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide
SMILESNc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C20H20N4O2S/c21-17-13-18(25)23-20(24(17)12-11-15-7-3-1-4-8-15)27-14-19(26)22-16-9-5-2-6-10-16/h1-10,13H,11-12,14,21H2,(H,22,26)
InChIKeyRPOOCXMYAIVDDT-UHFFFAOYSA-N
XLogP2.80
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.80
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-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide (CID 5301121) is 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide is Nc1cc(=O)nc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
The InChIKey is RPOOCXMYAIVDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c21-17-13-18(25)23-20(24(17)12-11-15-7-3-1-4-8-15)27-14-19(26)22-16-9-5-2-6-10-16/h1-10,13H,11-12,14,21H2,(H,22,26).
What are the key properties of 2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide?
2-[6-amino-4-oxo-1-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide has a molecular weight of 380.47 g/mol, XLogP of 2.80, 7 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-(2-phenylethyl)pyrimidin-2-yl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 5301121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).