2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine

C7H9Cl3N4O2S — CID 86624846

IUPAC2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine
SMILESCN(C)S(=O)(=O)N(C)c1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H9Cl3N4O2S/c1-13(2)17(15,16)14(3)6-4(8)5(9)11-7(10)12-6/h1-3H3
InChIKeyFXWGAPXFOQEEID-UHFFFAOYSA-N
MW319.60 g/mol
LogP1.68
Rot. Bonds3

About 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine

2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine (PubChem CID 86624846) has the molecular formula C7H9Cl3N4O2S and a molecular weight of 319.60 g/mol. Its IUPAC name is 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine
PubChem CID86624846
Molecular FormulaC7H9Cl3N4O2S
Molecular Weight319.60 g/mol
Exact Mass317.95
IUPAC Name2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine
SMILESCN(C)S(=O)(=O)N(C)c1nc(Cl)nc(Cl)c1Cl
InChIInChI=1S/C7H9Cl3N4O2S/c1-13(2)17(15,16)14(3)6-4(8)5(9)11-7(10)12-6/h1-3H3
InChIKeyFXWGAPXFOQEEID-UHFFFAOYSA-N
XLogP1.68
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.60
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichloro-5-fluoro-pyrimidin-4-yl)-N-methyl-methanesulfonamide
CID 86624844
4,5-Dichloro-2,6-diisocyanatopyrimidine
CID 20321365
2,5,6-trichloro-N-methylpyrimidin-4-amine
CID 20705355
2,5,6-trichloro-N,N-dimethylpyrimidin-4-amine
CID 22899423
sodium N-(2,5,6-trichloropyrimidin-4-yl)sulfamate
CID 57543992
(2,5,6-Trichloropyrimidin-4-yl)sulfamic acid
CID 57543993
N-(2,6-dichloropyrimidin-4-yl)-N,N',N'-trimethylsulfamide
CID 86624847
N-(2,5,6-Trichloro-pyrimidin-4-yl)-N-methylmethanesulfonamide
CID 86624849
N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide
CID 90182317
N-(2,5,6-trichloropyrimidin-4-yl)ethanesulfonamide
CID 91340385
4,5,6-Trichloro-2-{[(dimethylamino)methylidene]amino}pyrimidine
CID 101491088
(4,5,6-Trichloropyrimidin-2-yl) methanesulfonate
CID 122590222

Frequently Asked Questions

What is the IUPAC name of 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine (CID 86624846) is 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine is CN(C)S(=O)(=O)N(C)c1nc(Cl)nc(Cl)c1Cl.
What is the InChIKey of 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine?
The InChIKey is FXWGAPXFOQEEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3N4O2S/c1-13(2)17(15,16)14(3)6-4(8)5(9)11-7(10)12-6/h1-3H3.
What are the key properties of 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine?
2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine has a molecular weight of 319.60 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trichloro-N-(dimethylsulfamoyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 86624846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).