2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

C13H12Cl3N3O2S — CID 142742089

IUPAC2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1c(Cl)cccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl3N3O2S/c1-7(2)22(20,21)11-8(14)4-3-5-10(11)18-12-9(15)6-17-13(16)19-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyRWALCDJGBXJJGY-UHFFFAOYSA-N
MW380.68 g/mol
LogP4.36
Rot. Bonds4

About 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine

2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (PubChem CID 142742089) has the molecular formula C13H12Cl3N3O2S and a molecular weight of 380.68 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
PubChem CID142742089
Molecular FormulaC13H12Cl3N3O2S
Molecular Weight380.68 g/mol
Exact Mass378.97
IUPAC Name2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
SMILESCC(C)S(=O)(=O)c1c(Cl)cccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C13H12Cl3N3O2S/c1-7(2)22(20,21)11-8(14)4-3-5-10(11)18-12-9(15)6-17-13(16)19-12/h3-7H,1-2H3,(H,17,18,19)
InChIKeyRWALCDJGBXJJGY-UHFFFAOYSA-N
XLogP4.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.68
LogP ≤ 54.36
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
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-propan-2-ylsulfonylbenzonitrile
CID 155291869
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-4-propan-2-ylsulfonyl-1,3-thiazol-5-amine
CID 118549955
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-(2-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-4-amine
CID 86633907
N-(2,5-dichloropyrimidin-4-yl)-2-methyl-1-methylsulfonylindol-7-amine
CID 175424607
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]benzoic acid
CID 71501536
[3-[(2,5-dichloropyrimidin-4-yl)amino]-2-propan-2-ylsulfanylphenyl]methanol
CID 139380415
2-chloro-N-(3-chloro-2-methylphenyl)-5-methylpyrimidin-4-amine
CID 79075964
2,5-dichloro-N-(2-nitrophenyl)pyrimidin-4-amine
CID 142497262

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine (CID 142742089) is 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is CC(C)S(=O)(=O)c1c(Cl)cccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
The InChIKey is RWALCDJGBXJJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3O2S/c1-7(2)22(20,21)11-8(14)4-3-5-10(11)18-12-9(15)6-17-13(16)19-12/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine has a molecular weight of 380.68 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 142742089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).