6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine

C19H19ClN4O2S — CID 21041357

IUPAC6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15/h2-10,13,23H,11-12H2,1H3,(H,21,22,24)
InChIKeyGKBDFABZKOOJJU-UHFFFAOYSA-N
MW402.91 g/mol
LogP3.59
Rot. Bonds7

About 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine

6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine (PubChem CID 21041357) has the molecular formula C19H19ClN4O2S and a molecular weight of 402.91 g/mol. Its IUPAC name is 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
PubChem CID21041357
Molecular FormulaC19H19ClN4O2S
Molecular Weight402.91 g/mol
Exact Mass402.09
IUPAC Name6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C19H19ClN4O2S/c1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15/h2-10,13,23H,11-12H2,1H3,(H,21,22,24)
InChIKeyGKBDFABZKOOJJU-UHFFFAOYSA-N
XLogP3.59
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.91
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine (CID 21041357) is 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine is Cc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
The InChIKey is GKBDFABZKOOJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2S/c1-14-7-9-16(10-8-14)17-18(20)21-13-22-19(17)24-27(25,26)23-12-11-15-5-3-2-4-6-15/h2-10,13,23H,11-12H2,1H3,(H,21,22,24).
What are the key properties of 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine?
6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine has a molecular weight of 402.91 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(4-methylphenyl)-N-(2-phenylethylsulfamoyl)pyrimidin-4-amine is sourced from PubChem (CID 21041357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).