2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide

C13H12Cl2N4OS — CID 40663127

IUPAC2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N4OS/c1-7-4-11(16)19-13(17-7)21-6-12(20)18-10-5-8(14)2-3-9(10)15/h2-5H,6H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyPPWIHBIFGJVOCF-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.40
Rot. Bonds4

About 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide (PubChem CID 40663127) has the molecular formula C13H12Cl2N4OS and a molecular weight of 343.24 g/mol. Its IUPAC name is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
PubChem CID40663127
Molecular FormulaC13H12Cl2N4OS
Molecular Weight343.24 g/mol
Exact Mass342.01
IUPAC Name2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
SMILESCc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N4OS/c1-7-4-11(16)19-13(17-7)21-6-12(20)18-10-5-8(14)2-3-9(10)15/h2-5H,6H2,1H3,(H,18,20)(H2,16,17,19)
InChIKeyPPWIHBIFGJVOCF-UHFFFAOYSA-N
XLogP3.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 2237735
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 51190620
N-(2,4-dichlorophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4294773
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
N-[2-chloro-5-(dimethylsulfamoyl)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 4983753
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[1-(4-chlorophenyl)propyl]acetamide
CID 55541824
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(3,5-dichloro-4-methyl-2-pyridinyl)acetamide
CID 27923574
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
N-(2,5-dichlorophenyl)-2-methylsulfanylacetamide
CID 47097975
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[2-(cyanomethylsulfanyl)phenyl]acetamide
CID 30009006

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The IUPAC name of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide (CID 40663127) is 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide is Cc1cc(N)nc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide?
The InChIKey is PPWIHBIFGJVOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4OS/c1-7-4-11(16)19-13(17-7)21-6-12(20)18-10-5-8(14)2-3-9(10)15/h2-5H,6H2,1H3,(H,18,20)(H2,16,17,19).
What are the key properties of 2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide?
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide has a molecular weight of 343.24 g/mol, XLogP of 3.40, 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-(2,5-dichlorophenyl)acetamide is sourced from PubChem (CID 40663127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).