N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide

C13H24N6O2S — CID 122325596

IUPACN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C13H24N6O2S/c1-3-14-13-17-11(2)10-12(18-13)15-6-7-16-22(20,21)19-8-4-5-9-19/h10,16H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyPFKWMGGSFGZUMM-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.56
Rot. Bonds8

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

N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide (PubChem CID 122325596) has the molecular formula C13H24N6O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide
PubChem CID122325596
Molecular FormulaC13H24N6O2S
Molecular Weight328.44 g/mol
Exact Mass328.17
IUPAC NameN-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide
SMILESCCNc1nc(C)cc(NCCNS(=O)(=O)N2CCCC2)n1
InChIInChI=1S/C13H24N6O2S/c1-3-14-13-17-11(2)10-12(18-13)15-6-7-16-22(20,21)19-8-4-5-9-19/h10,16H,3-9H2,1-2H3,(H2,14,15,17,18)
InChIKeyPFKWMGGSFGZUMM-UHFFFAOYSA-N
XLogP0.56
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.56
H-Bond Donors ≤ 53
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-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide (CID 122325596) is N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide is CCNc1nc(C)cc(NCCNS(=O)(=O)N2CCCC2)n1.
What is the InChIKey of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
The InChIKey is PFKWMGGSFGZUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2S/c1-3-14-13-17-11(2)10-12(18-13)15-6-7-16-22(20,21)19-8-4-5-9-19/h10,16H,3-9H2,1-2H3,(H2,14,15,17,18).
What are the key properties of N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide?
N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide has a molecular weight of 328.44 g/mol, XLogP of 0.56, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]ethyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 122325596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).