1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide

C15H26N4O2S — CID 84591969

IUPAC1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-8-14(18-15(17-13)11(3)4)19-7-6-12(9-19)22(20,21)16-5/h8,10-12,16H,6-7,9H2,1-5H3
InChIKeyRRXHBIJUQZZDHF-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.85
Rot. Bonds5

About 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide

1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 84591969) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID84591969
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
SMILESCNS(=O)(=O)C1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-8-14(18-15(17-13)11(3)4)19-7-6-12(9-19)22(20,21)16-5/h8,10-12,16H,6-7,9H2,1-5H3
InChIKeyRRXHBIJUQZZDHF-UHFFFAOYSA-N
XLogP1.85
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide (CID 84591969) is 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide is CNS(=O)(=O)C1CCN(c2cc(C(C)C)nc(C(C)C)n2)C1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is RRXHBIJUQZZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(2)13-8-14(18-15(17-13)11(3)4)19-7-6-12(9-19)22(20,21)16-5/h8,10-12,16H,6-7,9H2,1-5H3.
What are the key properties of 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide?
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 326.47 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 84591969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).