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

C16H26N4O2S — CID 112896184

IUPACN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-13-6-4-5-10-20(13)15-7-9-17-16(18-15)19(2)14-8-11-23(21,22)12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3
InChIKeyZLQIIWWQMIPJOP-UHFFFAOYSA-N
MW338.48 g/mol
LogP1.87
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 112896184) 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)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
PubChem CID112896184
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine
SMILESCCC1CCCCN1c1ccnc(N(C)C2CCS(=O)(=O)C2)n1
InChIInChI=1S/C16H26N4O2S/c1-3-13-6-4-5-10-20(13)15-7-9-17-16(18-15)19(2)14-8-11-23(21,22)12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3
InChIKeyZLQIIWWQMIPJOP-UHFFFAOYSA-N
XLogP1.87
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine
CID 112900846
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112896174
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112894202
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyrimidin-2-amine
CID 112896169
2-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112896192
4-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 112883515
N-cyclopentyl-2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidine-4-carboxamide
CID 109298075
4-[2-(aminomethyl)piperidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 64830681
N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112887183
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-6-methylpyrimidin-2-amine
CID 112921818
4-[[2-[(1,1-dioxothiolan-3-yl)-methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193805
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyrimidin-2-amine
CID 112894211

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine (CID 112896184) is N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine is CCC1CCCCN1c1ccnc(N(C)C2CCS(=O)(=O)C2)n1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is ZLQIIWWQMIPJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-3-13-6-4-5-10-20(13)15-7-9-17-16(18-15)19(2)14-8-11-23(21,22)12-14/h7,9,13-14H,3-6,8,10-12H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine?
N-(1,1-dioxothiolan-3-yl)-4-(2-ethylpiperidin-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 338.48 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 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)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112896184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).