2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

C13H13FN4OS — CID 40663166

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C13H13FN4OS/c1-8-6-11(15)18-13(16-8)20-7-12(19)17-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,17,19)(H2,15,16,18)
InChIKeyADLQUOZADPFWRF-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.24
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (PubChem CID 40663166) has the molecular formula C13H13FN4OS and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
PubChem CID40663166
Molecular FormulaC13H13FN4OS
Molecular Weight292.34 g/mol
Exact Mass292.08
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2ccccc2F)n1
InChIInChI=1S/C13H13FN4OS/c1-8-6-11(15)18-13(16-8)20-7-12(19)17-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,17,19)(H2,15,16,18)
InChIKeyADLQUOZADPFWRF-UHFFFAOYSA-N
XLogP2.24
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
N-(2-fluorophenyl)-2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 17052733
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 30009006
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2-methylsulfanylphenyl)acetamide
CID 4805262
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 40663127
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 51190620
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(2,4,5-trifluorophenyl)acetamide
CID 5061796
N-(3-amino-2-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61296037
2-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzamide
CID 2224520
N-(2-bromophenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 1143775
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide
CID 17450187
N-(2-amino-4-methylphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 61297344

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide (CID 40663166) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is Cc1cc(N)nc(SCC(=O)Nc2ccccc2F)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
The InChIKey is ADLQUOZADPFWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4OS/c1-8-6-11(15)18-13(16-8)20-7-12(19)17-10-5-3-2-4-9(10)14/h2-6H,7H2,1H3,(H,17,19)(H2,15,16,18).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide has a molecular weight of 292.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 40663166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).