N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

C16H26N4O2S — CID 112921706

IUPACN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)16-17-12(2)10-15(19-16)18-13-7-9-23(21,22)11-13/h10,13-14H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyAPHZGUHVSULJSS-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.15
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (PubChem CID 112921706) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
PubChem CID112921706
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
SMILESCCC1CCCCN1c1nc(C)cc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)16-17-12(2)10-15(19-16)18-13-7-9-23(21,22)11-13/h10,13-14H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyAPHZGUHVSULJSS-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
N-(1,1-dioxothiolan-3-yl)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112954980
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112919761
N-(4-chlorophenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925978
N-(2,4-dimethylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925963
2-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-6-methylpyrimidin-4-amine
CID 112917516
N-(4-chloro-2-methylphenyl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112925981
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-6-methylpyrimidin-4-amine
CID 80932792
ethyl 4-[[2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112926026
4-N-(1,1-dioxothiolan-3-yl)-2-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112921724
2-(2-ethylpiperidin-1-yl)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112925995
N-cyclohexyl-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidin-4-amine
CID 112869044

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine (CID 112921706) is N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is CCC1CCCCN1c1nc(C)cc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
The InChIKey is APHZGUHVSULJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)16-17-12(2)10-15(19-16)18-13-7-9-23(21,22)11-13/h10,13-14H,3-9,11H2,1-2H3,(H,17,18,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine has a molecular weight of 338.48 g/mol, XLogP of 2.15, 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)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine is sourced from PubChem (CID 112921706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).