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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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).