2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine

C8H12ClN3O — CID 58684724

IUPAC2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine
SMILESCCc1ncnc(OCCN)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-2-6-7(9)8(12-5-11-6)13-4-3-10/h5H,2-4,10H2,1H3
InChIKeyAXNOTBNBISVXKT-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.03
Rot. Bonds4

About 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine

2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine (PubChem CID 58684724) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine.

Molecular Properties

Compound Name2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine
PubChem CID58684724
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine
SMILESCCc1ncnc(OCCN)c1Cl
InChIInChI=1S/C8H12ClN3O/c1-2-6-7(9)8(12-5-11-6)13-4-3-10/h5H,2-4,10H2,1H3
InChIKeyAXNOTBNBISVXKT-UHFFFAOYSA-N
XLogP1.03
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine?
The IUPAC name of 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine (CID 58684724) is 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine.
What is the SMILES notation for 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine?
The canonical SMILES for 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine is CCc1ncnc(OCCN)c1Cl.
What is the InChIKey of 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine?
The InChIKey is AXNOTBNBISVXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-2-6-7(9)8(12-5-11-6)13-4-3-10/h5H,2-4,10H2,1H3.
What are the key properties of 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine?
2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine has a molecular weight of 201.66 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-ethylpyrimidin-4-yl)oxyethanamine is sourced from PubChem (CID 58684724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).