N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide

C12H11FN4OS — CID 63697445

IUPACN-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ccncn1
InChIInChI=1S/C12H11FN4OS/c13-8-1-2-9(14)10(5-8)17-11(18)6-19-12-3-4-15-7-16-12/h1-5,7H,6,14H2,(H,17,18)
InChIKeyYOVHVWZKUFSDNQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.93
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide

N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide (PubChem CID 63697445) has the molecular formula C12H11FN4OS and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
PubChem CID63697445
Molecular FormulaC12H11FN4OS
Molecular Weight278.31 g/mol
Exact Mass278.06
IUPAC NameN-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide
SMILESNc1ccc(F)cc1NC(=O)CSc1ccncn1
InChIInChI=1S/C12H11FN4OS/c13-8-1-2-9(14)10(5-8)17-11(18)6-19-12-3-4-15-7-16-12/h1-5,7H,6,14H2,(H,17,18)
InChIKeyYOVHVWZKUFSDNQ-UHFFFAOYSA-N
XLogP1.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide (CID 63697445) is N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide is Nc1ccc(F)cc1NC(=O)CSc1ccncn1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide?
The InChIKey is YOVHVWZKUFSDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4OS/c13-8-1-2-9(14)10(5-8)17-11(18)6-19-12-3-4-15-7-16-12/h1-5,7H,6,14H2,(H,17,18).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide?
N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide has a molecular weight of 278.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-pyrimidin-4-ylsulfanylacetamide is sourced from PubChem (CID 63697445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).