2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide

C14H23N5OS — CID 80785670

IUPAC2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1cc(N2CCC(CC(N)=O)CC2)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-3-16-12-9-13(18-14(17-12)21-2)19-6-4-10(5-7-19)8-11(15)20/h9-10H,3-8H2,1-2H3,(H2,15,20)(H,16,17,18)
InChIKeyKSOUYIURRCUICH-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.72
Rot. Bonds6

About 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide

2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 80785670) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID80785670
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCCNc1cc(N2CCC(CC(N)=O)CC2)nc(SC)n1
InChIInChI=1S/C14H23N5OS/c1-3-16-12-9-13(18-14(17-12)21-2)19-6-4-10(5-7-19)8-11(15)20/h9-10H,3-8H2,1-2H3,(H2,15,20)(H,16,17,18)
InChIKeyKSOUYIURRCUICH-UHFFFAOYSA-N
XLogP1.72
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[6-(ethylamino)pyrazin-2-yl]piperidin-4-yl]acetamide
CID 78990566
N-ethyl-2-methylsulfanyl-6-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-amine
CID 80804466
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556
N-methyl-2-methylsulfanyl-6-(4-propylpiperidin-1-yl)pyrimidin-4-amine
CID 80822489
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-6-methylpiperidine-3-carboxamide
CID 80786083
N-[6-(4-aminopiperidin-1-yl)-2-methylsulfanylpyrimidin-4-yl]hexadecanamide
CID 68579829
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-1,4-diazepan-5-one
CID 80830734
6-(3,4-dimethylpiperazin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80833597
1-[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80956690
[1-(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]methanol
CID 112629757
[1-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperidin-4-yl]methanol
CID 80757736

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide (CID 80785670) is 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide is CCNc1cc(N2CCC(CC(N)=O)CC2)nc(SC)n1.
What is the InChIKey of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is KSOUYIURRCUICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-3-16-12-9-13(18-14(17-12)21-2)19-6-4-10(5-7-19)8-11(15)20/h9-10H,3-8H2,1-2H3,(H2,15,20)(H,16,17,18).
What are the key properties of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide?
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 80785670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).