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

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Related Compounds

Jnj-39758979
CID 24994634
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine
CID 25131544
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56709106
N-(2-(4-cyclopropyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)propane-2-sulfonamide
CID 71797088
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
N-(1,1-dioxidotetrahydro-3-thienyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72914151
N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
CID 75434715
N-{1-[2-Amino-6-(3-aminocyclobutyl)pyrimidin-4-YL]piperidin-4-YL}methanesulfonamide
CID 91777271

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).