N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide

C12H23N5O2S — CID 121075570

IUPACN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-8-20(18,19)14-7-6-13-12-15-10(2)9-11(16-12)17(3)4/h9,14H,5-8H2,1-4H3,(H,13,15,16)
InChIKeyKGXHWWGCJVVVHC-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.59
Rot. Bonds8

About N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide

N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide (PubChem CID 121075570) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
PubChem CID121075570
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCNc1nc(C)cc(N(C)C)n1
InChIInChI=1S/C12H23N5O2S/c1-5-8-20(18,19)14-7-6-13-12-15-10(2)9-11(16-12)17(3)4/h9,14H,5-8H2,1-4H3,(H,13,15,16)
InChIKeyKGXHWWGCJVVVHC-UHFFFAOYSA-N
XLogP0.59
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide (CID 121075570) is N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCNc1nc(C)cc(N(C)C)n1.
What is the InChIKey of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
The InChIKey is KGXHWWGCJVVVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-5-8-20(18,19)14-7-6-13-12-15-10(2)9-11(16-12)17(3)4/h9,14H,5-8H2,1-4H3,(H,13,15,16).
What are the key properties of N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide?
N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 121075570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).