N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

C13H14N4OS — CID 43377226

IUPACN-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncccn1)c1ccc(N)cc1
InChIInChI=1S/C13H14N4OS/c1-17(11-5-3-10(14)4-6-11)12(18)9-19-13-15-7-2-8-16-13/h2-8H,9,14H2,1H3
InChIKeyCFDLFOHNZVMYFK-UHFFFAOYSA-N
MW274.35 g/mol
LogP1.81
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide

N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 43377226) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID43377226
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESCN(C(=O)CSc1ncccn1)c1ccc(N)cc1
InChIInChI=1S/C13H14N4OS/c1-17(11-5-3-10(14)4-6-11)12(18)9-19-13-15-7-2-8-16-13/h2-8H,9,14H2,1H3
InChIKeyCFDLFOHNZVMYFK-UHFFFAOYSA-N
XLogP1.81
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide (CID 43377226) is N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is CN(C(=O)CSc1ncccn1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is CFDLFOHNZVMYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c1-17(11-5-3-10(14)4-6-11)12(18)9-19-13-15-7-2-8-16-13/h2-8H,9,14H2,1H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide?
N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 274.35 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 43377226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).