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

C14H24N4OS — CID 80766985

IUPAC2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCCNc1cc(N2CCCCC2CCO)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-3-15-12-10-13(17-14(16-12)20-2)18-8-5-4-6-11(18)7-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJMGAOGSXNJAZQH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.37
Rot. Bonds6

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

2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol (PubChem CID 80766985) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
PubChem CID80766985
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC Name2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol
SMILESCCNc1cc(N2CCCCC2CCO)nc(SC)n1
InChIInChI=1S/C14H24N4OS/c1-3-15-12-10-13(17-14(16-12)20-2)18-8-5-4-6-11(18)7-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyJMGAOGSXNJAZQH-UHFFFAOYSA-N
XLogP2.37
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]piperidin-2-yl]ethanol
CID 80767376
2-methylsulfanyl-N-propyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-amine
CID 83045067
[2-methylsulfanyl-6-(2-propylpiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 83056809
[1-[2-amino-6-(ethylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640645
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414
6-(2,4-dimethylpiperidin-1-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80826076
[1-[6-(ethylamino)-2-(methoxymethyl)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640655
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80836949
2-[1-[5-(ethylamino)-2-pyridinyl]piperidin-2-yl]ethanol
CID 82104328
2-[1-(2-amino-6-hydrazinylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80927450
6-(2-methylpyrrolidin-1-yl)-2-methylsulfanyl-N-propylpyrimidin-4-amine
CID 80791344
2-[4-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80779556

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol (CID 80766985) is 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol is CCNc1cc(N2CCCCC2CCO)nc(SC)n1.
What is the InChIKey of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol?
The InChIKey is JMGAOGSXNJAZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-15-12-10-13(17-14(16-12)20-2)18-8-5-4-6-11(18)7-9-19/h10-11,19H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol?
2-[1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]piperidin-2-yl]ethanol has a molecular weight of 296.44 g/mol, XLogP of 2.37, 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-2-yl]ethanol is sourced from PubChem (CID 80766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).