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

C10H17N3 — CID 55263070

IUPAC2-(5-tert-butylpyrimidin-2-yl)ethanamine
SMILESCC(C)(C)c1cnc(CCN)nc1
InChIInChI=1S/C10H17N3/c1-10(2,3)8-6-12-9(4-5-11)13-7-8/h6-7H,4-5,11H2,1-3H3
InChIKeyMQTFAFVCNKIIJP-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.28
Rot. Bonds2

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

2-(5-tert-butylpyrimidin-2-yl)ethanamine (PubChem CID 55263070) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-(5-tert-butylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-tert-butylpyrimidin-2-yl)ethanamine
PubChem CID55263070
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-(5-tert-butylpyrimidin-2-yl)ethanamine
SMILESCC(C)(C)c1cnc(CCN)nc1
InChIInChI=1S/C10H17N3/c1-10(2,3)8-6-12-9(4-5-11)13-7-8/h6-7H,4-5,11H2,1-3H3
InChIKeyMQTFAFVCNKIIJP-UHFFFAOYSA-N
XLogP1.28
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(5-tert-butylpyrimidin-2-yl)ethanamine (CID 55263070) is 2-(5-tert-butylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(5-tert-butylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(5-tert-butylpyrimidin-2-yl)ethanamine is CC(C)(C)c1cnc(CCN)nc1.
What is the InChIKey of 2-(5-tert-butylpyrimidin-2-yl)ethanamine?
The InChIKey is MQTFAFVCNKIIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)8-6-12-9(4-5-11)13-7-8/h6-7H,4-5,11H2,1-3H3.
What are the key properties of 2-(5-tert-butylpyrimidin-2-yl)ethanamine?
2-(5-tert-butylpyrimidin-2-yl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 55263070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).