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

C15H26N4O2S — CID 75434715

IUPACN-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)c1cc(N2CCC(NS(C)(=O)=O)C2)nc(C(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-8-14(17-15(16-13)11(3)4)19-7-6-12(9-19)18-22(5,20)21/h8,10-12,18H,6-7,9H2,1-5H3
InChIKeyIICCWMXYWYFASV-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.85
Rot. Bonds5

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

N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 75434715) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID75434715
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC NameN-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
SMILESCC(C)c1cc(N2CCC(NS(C)(=O)=O)C2)nc(C(C)C)n1
InChIInChI=1S/C15H26N4O2S/c1-10(2)13-8-14(17-15(16-13)11(3)4)19-7-6-12(9-19)18-22(5,20)21/h8,10-12,18H,6-7,9H2,1-5H3
InChIKeyIICCWMXYWYFASV-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-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-Isopropyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623731
4-cyclopropyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624148
4-ethyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624149
4-tert-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 42624150
4-[(3R)-3-aminopyrrolidin-1-yl]-6-ethylpyrimidin-2-amine
CID 53258370

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide (CID 75434715) is N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide is CC(C)c1cc(N2CCC(NS(C)(=O)=O)C2)nc(C(C)C)n1.
What is the InChIKey of N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is IICCWMXYWYFASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-10(2)13-8-14(17-15(16-13)11(3)4)19-7-6-12(9-19)18-22(5,20)21/h8,10-12,18H,6-7,9H2,1-5H3.
What are the key properties of N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide?
N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide 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 N-[1-[2,6-di(propan-2-yl)pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 75434715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).