N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide

C13H17N5O2S — CID 106937024

IUPACN-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O2S/c1-3-6-15-13-16-9-12(10-17-13)21(19,20)18(2)11-4-7-14-8-5-11/h4-5,7-10H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyWYBLRQMKZIZMTK-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.52
Rot. Bonds6

About N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide

N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide (PubChem CID 106937024) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
PubChem CID106937024
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC NameN-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide
SMILESCCCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1
InChIInChI=1S/C13H17N5O2S/c1-3-6-15-13-16-9-12(10-17-13)21(19,20)18(2)11-4-7-14-8-5-11/h4-5,7-10H,3,6H2,1-2H3,(H,15,16,17)
InChIKeyWYBLRQMKZIZMTK-UHFFFAOYSA-N
XLogP1.52
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The IUPAC name of N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide (CID 106937024) is N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The canonical SMILES for N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide is CCCNc1ncc(S(=O)(=O)N(C)c2ccncc2)cn1.
What is the InChIKey of N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide?
The InChIKey is WYBLRQMKZIZMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-3-6-15-13-16-9-12(10-17-13)21(19,20)18(2)11-4-7-14-8-5-11/h4-5,7-10H,3,6H2,1-2H3,(H,15,16,17).
What are the key properties of N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide?
N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(propylamino)-N-pyridin-4-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 106937024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).