N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine

C15H24N4O2S — CID 50964693

IUPACN-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCS(=O)(=O)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-2-12-10-14(16-13-6-9-22(20,21)11-13)18-15(17-12)19-7-4-3-5-8-19/h10,13H,2-9,11H2,1H3,(H,16,17,18)
InChIKeyLSUCFHRZLXGLGV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.63
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 50964693) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID50964693
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCS(=O)(=O)C2)nc(N2CCCCC2)n1
InChIInChI=1S/C15H24N4O2S/c1-2-12-10-14(16-13-6-9-22(20,21)11-13)18-15(17-12)19-7-4-3-5-8-19/h10,13H,2-9,11H2,1H3,(H,16,17,18)
InChIKeyLSUCFHRZLXGLGV-UHFFFAOYSA-N
XLogP1.63
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Isobutyl-[6-(3-methyl-butyl)-2-(2-methyl-propane-1-sulfonyl)-pyrimidin-4-yl]-amine
CID 25131544
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56709106
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
(3S,4S)-4-[[1-[2-(dimethylamino)-6-ethylpyrimidin-4-yl]piperidin-4-yl]amino]-1,1-dioxothiolan-3-ol
CID 72865284
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
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
N-ethyl-6-methyl-2-(4-(propylsulfonyl)piperazin-1-yl)pyrimidin-4-amine
CID 31481356
N-{1-[2-Amino-6-(3-aminocyclobutyl)pyrimidin-4-YL]piperidin-4-YL}methanesulfonamide
CID 91777271
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 45808518

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine (CID 50964693) is N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine is CCc1cc(NC2CCS(=O)(=O)C2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is LSUCFHRZLXGLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-2-12-10-14(16-13-6-9-22(20,21)11-13)18-15(17-12)19-7-4-3-5-8-19/h10,13H,2-9,11H2,1H3,(H,16,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50964693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).