2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol

C11H19N3OS — CID 102536039

IUPAC2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol
SMILESCCSc1ncc(CNC(C)(C)CO)cn1
InChIInChI=1S/C11H19N3OS/c1-4-16-10-12-5-9(6-13-10)7-14-11(2,3)8-15/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyURVYBXIUJVAHAB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.45
Rot. Bonds6

About 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol

2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol (PubChem CID 102536039) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol
PubChem CID102536039
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol
SMILESCCSc1ncc(CNC(C)(C)CO)cn1
InChIInChI=1S/C11H19N3OS/c1-4-16-10-12-5-9(6-13-10)7-14-11(2,3)8-15/h5-6,14-15H,4,7-8H2,1-3H3
InChIKeyURVYBXIUJVAHAB-UHFFFAOYSA-N
XLogP1.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol (CID 102536039) is 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol is CCSc1ncc(CNC(C)(C)CO)cn1.
What is the InChIKey of 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol?
The InChIKey is URVYBXIUJVAHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-4-16-10-12-5-9(6-13-10)7-14-11(2,3)8-15/h5-6,14-15H,4,7-8H2,1-3H3.
What are the key properties of 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol?
2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol has a molecular weight of 241.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylsulfanylpyrimidin-5-yl)methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 102536039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).