4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide

C16H23N5O2S — CID 74230629

IUPAC4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C16H23N5O2S/c1-5-21(6-2)24(22,23)13-9-7-12(8-10-13)14-11-15(17)19-16(18-14)20(3)4/h7-11H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyUDFQJFBNNVTKAP-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.82
Rot. Bonds6

About 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide

4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide (PubChem CID 74230629) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide
PubChem CID74230629
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C16H23N5O2S/c1-5-21(6-2)24(22,23)13-9-7-12(8-10-13)14-11-15(17)19-16(18-14)20(3)4/h7-11H,5-6H2,1-4H3,(H2,17,18,19)
InChIKeyUDFQJFBNNVTKAP-UHFFFAOYSA-N
XLogP1.82
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide?
The IUPAC name of 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide (CID 74230629) is 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide.
What is the SMILES notation for 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide?
The canonical SMILES for 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(-c2cc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide?
The InChIKey is UDFQJFBNNVTKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-5-21(6-2)24(22,23)13-9-7-12(8-10-13)14-11-15(17)19-16(18-14)20(3)4/h7-11H,5-6H2,1-4H3,(H2,17,18,19).
What are the key properties of 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide?
4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(dimethylamino)pyrimidin-4-yl]-N,N-diethylbenzenesulfonamide is sourced from PubChem (CID 74230629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).