5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine

C12H12BrClN4O2S — CID 21041280

IUPAC5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18)
InChIKeyLCQWUVFBXGNEBT-UHFFFAOYSA-N
MW391.68 g/mol
LogP2.83
Rot. Bonds5

About 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine

5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine (PubChem CID 21041280) has the molecular formula C12H12BrClN4O2S and a molecular weight of 391.68 g/mol. Its IUPAC name is 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine
PubChem CID21041280
Molecular FormulaC12H12BrClN4O2S
Molecular Weight391.68 g/mol
Exact Mass389.96
IUPAC Name5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine
SMILESCCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrClN4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18)
InChIKeyLCQWUVFBXGNEBT-UHFFFAOYSA-N
XLogP2.83
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.68
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Bromophenyl)pyrimidine-2,4-diamine
CID 504037
5-[(4-Bromophenyl)methyl]pyrimidine-2,4-diamine
CID 14727372
5-(4-Bromophenyl)-4,6-dichloropyrimidine
CID 19735262
6-Chloro-5-phenyl-pyrimidin-4-ylamine
CID 4407476
(NE)-N-[[4-[(4-bromophenyl)methylamino]-6-chloropyrimidin-5-yl]methylidene]hydroxylamine
CID 155514472
5-(4-bromophenyl)-N-butylpyrimidin-4-amine
CID 172436182
5-(2-Bromophenyl)-4,6-dichloropyrimidine
CID 79439430
N-[5-(4-Bromophenyl)-6-chloro-4-pyrimidinyl]-N'-(phenylmethyl)sulfamide
CID 21041369
N-[5-(4-Bromophenyl)-6-chloro-4-pyrimidinyl]-N'-propylsulfamide
CID 71500858
5-(4-Bromophenyl)-6-chloropyrimidin-4-amine
CID 87551437
N-[1-(4-bromophenyl)propyl]-5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine
CID 19103990
5-(4-Bromophenyl)-4-fluoro-6-(sulfamoylamino)pyrimidine
CID 176258519

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine (CID 21041280) is 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine is CCNS(=O)(=O)Nc1ncnc(Cl)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is LCQWUVFBXGNEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2S/c1-2-17-21(19,20)18-12-10(11(14)15-7-16-12)8-3-5-9(13)6-4-8/h3-7,17H,2H2,1H3,(H,15,16,18).
What are the key properties of 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine?
5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 391.68 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-6-chloro-N-(ethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 21041280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).