4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide

C11H15N5O3S — CID 170316255

IUPAC4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)c1ncc(C(N)=O)c(NC23CC(C2)C3)n1
InChIInChI=1S/C11H15N5O3S/c1-13-20(18,19)10-14-5-7(8(12)17)9(15-10)16-11-2-6(3-11)4-11/h5-6,13H,2-4H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyUUTWHKDPXFQDPP-UHFFFAOYSA-N
MW297.34 g/mol
LogP-0.55
Rot. Bonds5

About 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide

4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide (PubChem CID 170316255) has the molecular formula C11H15N5O3S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide
PubChem CID170316255
Molecular FormulaC11H15N5O3S
Molecular Weight297.34 g/mol
Exact Mass297.09
IUPAC Name4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide
SMILESCNS(=O)(=O)c1ncc(C(N)=O)c(NC23CC(C2)C3)n1
InChIInChI=1S/C11H15N5O3S/c1-13-20(18,19)10-14-5-7(8(12)17)9(15-10)16-11-2-6(3-11)4-11/h5-6,13H,2-4H2,1H3,(H2,12,17)(H,14,15,16)
InChIKeyUUTWHKDPXFQDPP-UHFFFAOYSA-N
XLogP-0.55
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide (CID 170316255) is 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide is CNS(=O)(=O)c1ncc(C(N)=O)c(NC23CC(C2)C3)n1.
What is the InChIKey of 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide?
The InChIKey is UUTWHKDPXFQDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3S/c1-13-20(18,19)10-14-5-7(8(12)17)9(15-10)16-11-2-6(3-11)4-11/h5-6,13H,2-4H2,1H3,(H2,12,17)(H,14,15,16).
What are the key properties of 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide?
4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide has a molecular weight of 297.34 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[1.1.1]pentanylamino)-2-(methylsulfamoyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 170316255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).