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

C16H26N4O2S — CID 112921818

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)15-10-12(2)17-16(19-15)18-13-7-9-23(21,22)11-13/h10,13-14H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyUKNKPTWUQXMAOP-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.15
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112921818) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112921818
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1cc(C)nc(NC2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)15-10-12(2)17-16(19-15)18-13-7-9-23(21,22)11-13/h10,13-14H,3-9,11H2,1-2H3,(H,17,18,19)
InChIKeyUKNKPTWUQXMAOP-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)-5-(2-ethylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112954980
N-(1,1-dioxothiolan-3-yl)-2-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-4-amine
CID 112921706
4-(2-ethylazepan-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 113442061
N-ethyl-4-(2-ethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80798660
4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
CID 112921828
N-(3,5-dichlorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925937
2-N-(1,1-dioxothiolan-3-yl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907115
N-(2,6-difluorophenyl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112925948
4,6-bis(2-ethylpiperidin-1-yl)-2-methylpyrimidine
CID 112876455
N-(1,1-dioxothian-4-yl)-4,6-dimethylpyrimidin-2-amine
CID 43615421
1-[4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-yl]azepane
CID 112925859
4-(2-ethylpiperidin-1-yl)-6-methyl-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
CID 112925932

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine (CID 112921818) is N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is CCC1CCCCN1c1cc(C)nc(NC2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is UKNKPTWUQXMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-14-6-4-5-8-20(14)15-10-12(2)17-16(19-15)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)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine?
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-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)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112921818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).