2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol

C14H22N4O2S — CID 126452524

IUPAC2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1
InChIInChI=1S/C14H22N4O2S/c19-5-2-15-14-16-12(11-1-6-20-10-11)9-13(17-14)18-3-7-21-8-4-18/h9,11,19H,1-8,10H2,(H,15,16,17)/t11-/m1/s1
InChIKeyLKMGVFDEWWTNCC-LLVKDONJSA-N
MW310.42 g/mol
LogP0.94
Rot. Bonds5

About 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol

2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol (PubChem CID 126452524) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
PubChem CID126452524
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1
InChIInChI=1S/C14H22N4O2S/c19-5-2-15-14-16-12(11-1-6-20-10-11)9-13(17-14)18-3-7-21-8-4-18/h9,11,19H,1-8,10H2,(H,15,16,17)/t11-/m1/s1
InChIKeyLKMGVFDEWWTNCC-LLVKDONJSA-N
XLogP0.94
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
CID 126425917
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119065362
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060057
2-[[4-[(3S)-oxolan-3-yl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-2-yl]amino]ethanol
CID 126446619

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol (CID 126452524) is 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol is OCCNc1nc([C@@H]2CCOC2)cc(N2CCSCC2)n1.
What is the InChIKey of 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol?
The InChIKey is LKMGVFDEWWTNCC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-5-2-15-14-16-12(11-1-6-20-10-11)9-13(17-14)18-3-7-21-8-4-18/h9,11,19H,1-8,10H2,(H,15,16,17)/t11-/m1/s1.
What are the key properties of 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol?
2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol has a molecular weight of 310.42 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126452524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).