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

C15H17N3O2S — CID 135406805

IUPAC2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-6-12-9-13(19)18-15(17-12)21-10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyDHQOTGLEUSDURH-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.45
Rot. Bonds6

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

2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (PubChem CID 135406805) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
PubChem CID135406805
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide
SMILESCCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1
InChIInChI=1S/C15H17N3O2S/c1-2-6-12-9-13(19)18-15(17-12)21-10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyDHQOTGLEUSDURH-UHFFFAOYSA-N
XLogP2.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide (CID 135406805) is 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2)n1.
What is the InChIKey of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
The InChIKey is DHQOTGLEUSDURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-2-6-12-9-13(19)18-15(17-12)21-10-14(20)16-11-7-4-3-5-8-11/h3-5,7-9H,2,6,10H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide?
2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide has a molecular weight of 303.39 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 135406805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).