2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide

C14H12FN5OS — CID 6499896

IUPAC2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C14H12FN5OS/c1-8-2-3-10(15)4-11(8)19-12(21)7-22-14-18-6-9(5-16)13(17)20-14/h2-4,6H,7H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyYSADXQGCPJARMO-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.11
Rot. Bonds4

About 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (PubChem CID 6499896) has the molecular formula C14H12FN5OS and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
PubChem CID6499896
Molecular FormulaC14H12FN5OS
Molecular Weight317.35 g/mol
Exact Mass317.07
IUPAC Name2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
SMILESCc1ccc(F)cc1NC(=O)CSc1ncc(C#N)c(N)n1
InChIInChI=1S/C14H12FN5OS/c1-8-2-3-10(15)4-11(8)19-12(21)7-22-14-18-6-9(5-16)13(17)20-14/h2-4,6H,7H2,1H3,(H,19,21)(H2,17,18,20)
InChIKeyYSADXQGCPJARMO-UHFFFAOYSA-N
XLogP2.11
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-hydroxyphenyl)acetamide
CID 6492735
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 40662535
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-bromo-3-methylphenyl)acetamide
CID 40695200
2-[4-amino-5-(5-bromothiophen-2-yl)sulfonylpyrimidin-2-yl]sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 50769821
2-[[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylacetyl]amino]-N-(2-ethylphenyl)acetamide
CID 8809293
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-diethyl-2-oxobenzimidazol-5-yl)acetamide
CID 3163187
N-(5-fluoro-2-methylphenyl)-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanyl)acetamide
CID 18130890
2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1296701
2-(3-aminophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79134564
2-(2-amino-3-methylphenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide
CID 79130947
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
4-amino-2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile
CID 38966057

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide (CID 6499896) is 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is Cc1ccc(F)cc1NC(=O)CSc1ncc(C#N)c(N)n1.
What is the InChIKey of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
The InChIKey is YSADXQGCPJARMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5OS/c1-8-2-3-10(15)4-11(8)19-12(21)7-22-14-18-6-9(5-16)13(17)20-14/h2-4,6H,7H2,1H3,(H,19,21)(H2,17,18,20).
What are the key properties of 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide?
2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide has a molecular weight of 317.35 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(5-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 6499896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).