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

C16H26N4O2S — CID 50957838

IUPACN-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCS(=O)(=O)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O2S/c1-2-13-12-15(17-14-6-10-23(21,22)11-7-14)19-16(18-13)20-8-4-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,19)
InChIKeyZPISHOMFMSJBRR-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.02
Rot. Bonds4

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

N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine (PubChem CID 50957838) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
PubChem CID50957838
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
SMILESCCc1cc(NC2CCS(=O)(=O)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C16H26N4O2S/c1-2-13-12-15(17-14-6-10-23(21,22)11-7-14)19-16(18-13)20-8-4-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,19)
InChIKeyZPISHOMFMSJBRR-UHFFFAOYSA-N
XLogP2.02
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.02
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-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
(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-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-[2-(isobutylsulfonyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 50956927
2-[(6-ethylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 72916903
6-(3-aminocyclobutyl)-N-[2-(ethylsulfonyl)ethyl]pyrimidin-4-amine
CID 91797224
4-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 97200812

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine (CID 50957838) is N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine is CCc1cc(NC2CCS(=O)(=O)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ZPISHOMFMSJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-2-13-12-15(17-14-6-10-23(21,22)11-7-14)19-16(18-13)20-8-4-3-5-9-20/h12,14H,2-11H2,1H3,(H,17,18,19).
What are the key properties of N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine?
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 50957838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).