N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine

C14H20N6S — CID 86805479

IUPACN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1cc(N2CCC(N(C)c3ncns3)CC2)nc(C)n1
InChIInChI=1S/C14H20N6S/c1-10-8-13(18-11(2)17-10)20-6-4-12(5-7-20)19(3)14-15-9-16-21-14/h8-9,12H,4-7H2,1-3H3
InChIKeyMEXYSZJEEOFJJO-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 86805479) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID86805479
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1cc(N2CCC(N(C)c3ncns3)CC2)nc(C)n1
InChIInChI=1S/C14H20N6S/c1-10-8-13(18-11(2)17-10)20-6-4-12(5-7-20)19(3)14-15-9-16-21-14/h8-9,12H,4-7H2,1-3H3
InChIKeyMEXYSZJEEOFJJO-UHFFFAOYSA-N
XLogP2.05
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1R)-2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]-1-phenylethanol
CID 97069243
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237
2-[2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-methylamino]ethoxy]ethanol
CID 111543569
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]piperidin-4-amine
CID 97004691
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
CID 71863166
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
4-[4-(4-fluorophenoxy)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 133345860
[1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 138988774

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine (CID 86805479) is N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine is Cc1cc(N2CCC(N(C)c3ncns3)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is MEXYSZJEEOFJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-10-8-13(18-11(2)17-10)20-6-4-12(5-7-20)19(3)14-15-9-16-21-14/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine?
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 304.42 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 86805479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).