6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine

C15H17ClN4O2S — CID 21041353

IUPAC6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C15H17ClN4O2S/c1-10-2-6-12(7-3-10)13-14(16)17-9-18-15(13)20-23(21,22)19-8-11-4-5-11/h2-3,6-7,9,11,19H,4-5,8H2,1H3,(H,17,18,20)
InChIKeyINOSFNCNEHQIHN-UHFFFAOYSA-N
MW352.85 g/mol
LogP2.76
Rot. Bonds6

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

6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine (PubChem CID 21041353) has the molecular formula C15H17ClN4O2S and a molecular weight of 352.85 g/mol. Its IUPAC name is 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine
PubChem CID21041353
Molecular FormulaC15H17ClN4O2S
Molecular Weight352.85 g/mol
Exact Mass352.08
IUPAC Name6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine
SMILESCc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCC2CC2)cc1
InChIInChI=1S/C15H17ClN4O2S/c1-10-2-6-12(7-3-10)13-14(16)17-9-18-15(13)20-23(21,22)19-8-11-4-5-11/h2-3,6-7,9,11,19H,4-5,8H2,1H3,(H,17,18,20)
InChIKeyINOSFNCNEHQIHN-UHFFFAOYSA-N
XLogP2.76
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.85
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine (CID 21041353) is 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine is Cc1ccc(-c2c(Cl)ncnc2NS(=O)(=O)NCC2CC2)cc1.
What is the InChIKey of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine?
The InChIKey is INOSFNCNEHQIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2S/c1-10-2-6-12(7-3-10)13-14(16)17-9-18-15(13)20-23(21,22)19-8-11-4-5-11/h2-3,6-7,9,11,19H,4-5,8H2,1H3,(H,17,18,20).
What are the key properties of 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine?
6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine has a molecular weight of 352.85 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(cyclopropylmethylsulfamoyl)-5-(4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 21041353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).