2-(4,5-dimethylpyrimidin-2-yl)ethanamine

C8H13N3 — CID 83479570

IUPAC2-(4,5-dimethylpyrimidin-2-yl)ethanamine
SMILESCc1cnc(CCN)nc1C
InChIInChI=1S/C8H13N3/c1-6-5-10-8(3-4-9)11-7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyLTWYZYKSQWOKKG-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.59
Rot. Bonds2

About 2-(4,5-dimethylpyrimidin-2-yl)ethanamine

2-(4,5-dimethylpyrimidin-2-yl)ethanamine (PubChem CID 83479570) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-(4,5-dimethylpyrimidin-2-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dimethylpyrimidin-2-yl)ethanamine
PubChem CID83479570
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name2-(4,5-dimethylpyrimidin-2-yl)ethanamine
SMILESCc1cnc(CCN)nc1C
InChIInChI=1S/C8H13N3/c1-6-5-10-8(3-4-9)11-7(6)2/h5H,3-4,9H2,1-2H3
InChIKeyLTWYZYKSQWOKKG-UHFFFAOYSA-N
XLogP0.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylpyrimidin-2-yl)ethanamine?
The IUPAC name of 2-(4,5-dimethylpyrimidin-2-yl)ethanamine (CID 83479570) is 2-(4,5-dimethylpyrimidin-2-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dimethylpyrimidin-2-yl)ethanamine?
The canonical SMILES for 2-(4,5-dimethylpyrimidin-2-yl)ethanamine is Cc1cnc(CCN)nc1C.
What is the InChIKey of 2-(4,5-dimethylpyrimidin-2-yl)ethanamine?
The InChIKey is LTWYZYKSQWOKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-5-10-8(3-4-9)11-7(6)2/h5H,3-4,9H2,1-2H3.
What are the key properties of 2-(4,5-dimethylpyrimidin-2-yl)ethanamine?
2-(4,5-dimethylpyrimidin-2-yl)ethanamine has a molecular weight of 151.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylpyrimidin-2-yl)ethanamine is sourced from PubChem (CID 83479570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).