2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine

C12H12Cl2N4OS — CID 163444806

IUPAC2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
SMILESCN=S(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-15-20(2,19)10-6-4-3-5-9(10)17-11-8(13)7-16-12(14)18-11/h3-7H,1-2H3,(H,16,17,18)
InChIKeyBBPKHVGGDNJDGT-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.61
Rot. Bonds3

About 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine (PubChem CID 163444806) has the molecular formula C12H12Cl2N4OS and a molecular weight of 331.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
PubChem CID163444806
Molecular FormulaC12H12Cl2N4OS
Molecular Weight331.23 g/mol
Exact Mass330.01
IUPAC Name2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
SMILESCN=S(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H12Cl2N4OS/c1-15-20(2,19)10-6-4-3-5-9(10)17-11-8(13)7-16-12(14)18-11/h3-7H,1-2H3,(H,16,17,18)
InChIKeyBBPKHVGGDNJDGT-UHFFFAOYSA-N
XLogP3.61
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 126685422
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide;N,N-dimethyl-2-nitrobenzenesulfonamide;2,4,5-trichloropyrimidine
CID 159124840
2-[(2-chloro-5-iodopyrimidin-4-yl)amino]-N,N-dimethylbenzenesulfonamide
CID 138112376
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536
5-chloro-4-N-(2-ethylsulfonylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 58748506
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
CID 79632163

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine (CID 163444806) is 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine is CN=S(C)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The InChIKey is BBPKHVGGDNJDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4OS/c1-15-20(2,19)10-6-4-3-5-9(10)17-11-8(13)7-16-12(14)18-11/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine has a molecular weight of 331.23 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 163444806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).