1-(5-tert-butylpyrimidin-2-yl)ethanamine

C10H17N3 — CID 55263917

IUPAC1-(5-tert-butylpyrimidin-2-yl)ethanamine
SMILESCC(N)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C10H17N3/c1-7(11)9-12-5-8(6-13-9)10(2,3)4/h5-7H,11H2,1-4H3
InChIKeyAFANMKSKOCEYDJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.79
Rot. Bonds1

About 1-(5-tert-butylpyrimidin-2-yl)ethanamine

1-(5-tert-butylpyrimidin-2-yl)ethanamine (PubChem CID 55263917) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(5-tert-butylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butylpyrimidin-2-yl)ethanamine
PubChem CID55263917
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(5-tert-butylpyrimidin-2-yl)ethanamine
SMILESCC(N)c1ncc(C(C)(C)C)cn1
InChIInChI=1S/C10H17N3/c1-7(11)9-12-5-8(6-13-9)10(2,3)4/h5-7H,11H2,1-4H3
InChIKeyAFANMKSKOCEYDJ-UHFFFAOYSA-N
XLogP1.79
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylpyrimidin-2-yl)ethanamine?
The IUPAC name of 1-(5-tert-butylpyrimidin-2-yl)ethanamine (CID 55263917) is 1-(5-tert-butylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 1-(5-tert-butylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 1-(5-tert-butylpyrimidin-2-yl)ethanamine is CC(N)c1ncc(C(C)(C)C)cn1.
What is the InChIKey of 1-(5-tert-butylpyrimidin-2-yl)ethanamine?
The InChIKey is AFANMKSKOCEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(11)9-12-5-8(6-13-9)10(2,3)4/h5-7H,11H2,1-4H3.
What are the key properties of 1-(5-tert-butylpyrimidin-2-yl)ethanamine?
1-(5-tert-butylpyrimidin-2-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 55263917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).