2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

C11H17N3OS — CID 104755803

IUPAC2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCc1cnc(SCC(N)C2CCOC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-13-11(14-5-8)16-7-10(12)9-2-3-15-6-9/h4-5,9-10H,2-3,6-7,12H2,1H3
InChIKeyGDGQYZWDNCEFDG-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.24
Rot. Bonds4

About 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine

2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (PubChem CID 104755803) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
PubChem CID104755803
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
SMILESCc1cnc(SCC(N)C2CCOC2)nc1
InChIInChI=1S/C11H17N3OS/c1-8-4-13-11(14-5-8)16-7-10(12)9-2-3-15-6-9/h4-5,9-10H,2-3,6-7,12H2,1H3
InChIKeyGDGQYZWDNCEFDG-UHFFFAOYSA-N
XLogP1.24
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755794
1-cyclohexyl-2-(5-methylpyrimidin-2-yl)sulfanylethanamine
CID 104755796
2-(1-methylpyrazol-4-yl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 104755787
2-(5-methyl-2-pyridinyl)-1-(oxolan-3-yl)ethanamine
CID 66445949
1-(oxolan-3-yl)-2-(4-propan-2-ylphenyl)sulfanylethanamine
CID 104755249
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(oxolan-3-yl)ethanamine
CID 104755690
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 104693508
N-[4-[2-amino-2-(oxolan-3-yl)ethyl]sulfanylphenyl]acetamide
CID 104755373
2-(3-methylbutan-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 107763469
3,3-dimethyl-1-(5-methylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 64628587
2-(1,3-benzothiazol-2-ylsulfanyl)-1-(oxolan-3-yl)ethanamine
CID 104755154

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The IUPAC name of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine (CID 104755803) is 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is Cc1cnc(SCC(N)C2CCOC2)nc1.
What is the InChIKey of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
The InChIKey is GDGQYZWDNCEFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-4-13-11(14-5-8)16-7-10(12)9-2-3-15-6-9/h4-5,9-10H,2-3,6-7,12H2,1H3.
What are the key properties of 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine?
2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine has a molecular weight of 239.34 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrimidin-2-yl)sulfanyl-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 104755803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).