2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine

C11H19N3S — CID 65137662

IUPAC2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCC(C)(C)SCc1ncc(CCN)cn1
InChIInChI=1S/C11H19N3S/c1-11(2,3)15-8-10-13-6-9(4-5-12)7-14-10/h6-7H,4-5,8,12H2,1-3H3
InChIKeyKZFVOKOYLOXKOI-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine

2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine (PubChem CID 65137662) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine
PubChem CID65137662
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine
SMILESCC(C)(C)SCc1ncc(CCN)cn1
InChIInChI=1S/C11H19N3S/c1-11(2,3)15-8-10-13-6-9(4-5-12)7-14-10/h6-7H,4-5,8,12H2,1-3H3
InChIKeyKZFVOKOYLOXKOI-UHFFFAOYSA-N
XLogP2.01
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine (CID 65137662) is 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine is CC(C)(C)SCc1ncc(CCN)cn1.
What is the InChIKey of 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is KZFVOKOYLOXKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-11(2,3)15-8-10-13-6-9(4-5-12)7-14-10/h6-7H,4-5,8,12H2,1-3H3.
What are the key properties of 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine?
2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylsulfanylmethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 65137662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).