2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol

C13H22N4OS — CID 80811563

IUPAC2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCSc1nc(N)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-19-13-15-11(14)9-12(16-13)17(7-8-18)10-5-3-2-4-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyKTMGXLDACSSJIV-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol

2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol (PubChem CID 80811563) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
PubChem CID80811563
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol
SMILESCSc1nc(N)cc(N(CCO)C2CCCCC2)n1
InChIInChI=1S/C13H22N4OS/c1-19-13-15-11(14)9-12(16-13)17(7-8-18)10-5-3-2-4-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyKTMGXLDACSSJIV-UHFFFAOYSA-N
XLogP1.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[cyclohexyl-(2,6-diaminopyrimidin-4-yl)amino]ethanol
CID 80810818
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80961504
2-[(6-amino-2-propylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 80955025
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclohexylamino]ethanol
CID 102718042
2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[[6-amino-4-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]ethanol
CID 102718030
2-[cyclobutyl-(6-methylsulfanylpyrimidin-4-yl)amino]ethanol
CID 106973483
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
3-[(6-amino-2-cyclopropylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875552
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
CID 102875467
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol (CID 80811563) is 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol is CSc1nc(N)cc(N(CCO)C2CCCCC2)n1.
What is the InChIKey of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol?
The InChIKey is KTMGXLDACSSJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-19-13-15-11(14)9-12(16-13)17(7-8-18)10-5-3-2-4-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol?
2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol has a molecular weight of 282.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-methylsulfanylpyrimidin-4-yl)-cyclohexylamino]ethanol is sourced from PubChem (CID 80811563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).