N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine

C15H24N4O2S — CID 56709106

IUPACN-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(NC2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-13-4-7-22(20,21)8-5-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19)
InChIKeyLVJCEOJLBNHUNV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.24
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine

N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine (PubChem CID 56709106) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
PubChem CID56709106
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC NameN-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
SMILESCc1nc(NC2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1
InChIInChI=1S/C15H24N4O2S/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-13-4-7-22(20,21)8-5-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19)
InChIKeyLVJCEOJLBNHUNV-UHFFFAOYSA-N
XLogP1.24
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.24
H-Bond Donors ≤ 52
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
N-(1,1-dioxothian-4-yl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50957838
N-(1,1-dioxidotetrahydro-3-thienyl)-6-ethyl-2-piperidin-1-ylpyrimidin-4-amine
CID 50964693
N,2-dimethyl-6-piperidin-3-ylpyrimidin-4-amine
CID 66509808
N-(1,1-dioxidotetrahydro-3-thienyl)-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72914151
1-[2,6-di(propan-2-yl)pyrimidin-4-yl]-N-methylpyrrolidine-3-sulfonamide
CID 84591969
N-cyclohexyl-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 110271273
N-{1-[2-Amino-6-(3-aminocyclobutyl)pyrimidin-4-YL]piperidin-4-YL}methanesulfonamide
CID 91777271
N,2-dimethyl-6-(piperidin-3-yl)pyrimidin-4-amine dihydrochloride
CID 71298952
6-(cis-3-aminocyclobutyl)-N~4~-methyl-N~4~-[2-(methylthio)ethyl]pyrimidine-2,4-diamine
CID 91760611
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)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine (CID 56709106) is N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine is Cc1nc(NC2CCS(=O)(=O)CC2)cc(C2CCCNC2)n1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is LVJCEOJLBNHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-11-17-14(12-3-2-6-16-10-12)9-15(18-11)19-13-4-7-22(20,21)8-5-13/h9,12-13,16H,2-8,10H2,1H3,(H,17,18,19).
What are the key properties of N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine?
N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 324.45 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 56709106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).