2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine

C13H14Cl2N4OS — CID 126685422

IUPAC2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
SMILES[H]N=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)C(C)C
InChIInChI=1S/C13H14Cl2N4OS/c1-8(2)21(16,20)11-6-4-3-5-10(11)18-12-9(14)7-17-13(15)19-12/h3-8,16H,1-2H3,(H,17,18,19)
InChIKeyBHWVCUPBWFLLIF-UHFFFAOYSA-N
MW345.26 g/mol
LogP4.34
Rot. Bonds4

About 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine (PubChem CID 126685422) has the molecular formula C13H14Cl2N4OS and a molecular weight of 345.26 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
PubChem CID126685422
Molecular FormulaC13H14Cl2N4OS
Molecular Weight345.26 g/mol
Exact Mass344.03
IUPAC Name2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
SMILES[H]N=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)C(C)C
InChIInChI=1S/C13H14Cl2N4OS/c1-8(2)21(16,20)11-6-4-3-5-10(11)18-12-9(14)7-17-13(15)19-12/h3-8,16H,1-2H3,(H,17,18,19)
InChIKeyBHWVCUPBWFLLIF-UHFFFAOYSA-N
XLogP4.34
TPSA78.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-iodo-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 145053344
2,5-dichloro-N-[2-(N,S-dimethylsulfonimidoyl)phenyl]pyrimidin-4-amine
CID 163444806
2,5-dichloro-N-(3-chloro-2-propan-2-ylsulfonylphenyl)pyrimidin-4-amine
CID 142742089
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
3-[(2,5-dichloropyrimidin-4-yl)amino]-4-propan-2-ylsulfonylbenzonitrile
CID 155291869
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
4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]benzoic acid
CID 155549635

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine (CID 126685422) is 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine is [H]N=S(=O)(c1ccccc1Nc1nc(Cl)ncc1Cl)C(C)C.
What is the InChIKey of 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine?
The InChIKey is BHWVCUPBWFLLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4OS/c1-8(2)21(16,20)11-6-4-3-5-10(11)18-12-9(14)7-17-13(15)19-12/h3-8,16H,1-2H3,(H,17,18,19).
What are the key properties of 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine has a molecular weight of 345.26 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(propan-2-ylsulfonimidoyl)phenyl]pyrimidin-4-amine is sourced from PubChem (CID 126685422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).