2-amino-1-(6-ethylpyrimidin-4-yl)ethanol

C8H13N3O — CID 83873621

IUPAC2-amino-1-(6-ethylpyrimidin-4-yl)ethanol
SMILESCCc1cc(C(O)CN)ncn1
InChIInChI=1S/C8H13N3O/c1-2-6-3-7(8(12)4-9)11-5-10-6/h3,5,8,12H,2,4,9H2,1H3
InChIKeyQVYOQEZXEAZTRU-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.03
Rot. Bonds3

About 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol

2-amino-1-(6-ethylpyrimidin-4-yl)ethanol (PubChem CID 83873621) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(6-ethylpyrimidin-4-yl)ethanol
PubChem CID83873621
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-amino-1-(6-ethylpyrimidin-4-yl)ethanol
SMILESCCc1cc(C(O)CN)ncn1
InChIInChI=1S/C8H13N3O/c1-2-6-3-7(8(12)4-9)11-5-10-6/h3,5,8,12H,2,4,9H2,1H3
InChIKeyQVYOQEZXEAZTRU-UHFFFAOYSA-N
XLogP0.03
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol?
The IUPAC name of 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol (CID 83873621) is 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol.
What is the SMILES notation for 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol?
The canonical SMILES for 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol is CCc1cc(C(O)CN)ncn1.
What is the InChIKey of 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol?
The InChIKey is QVYOQEZXEAZTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-2-6-3-7(8(12)4-9)11-5-10-6/h3,5,8,12H,2,4,9H2,1H3.
What are the key properties of 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol?
2-amino-1-(6-ethylpyrimidin-4-yl)ethanol has a molecular weight of 167.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6-ethylpyrimidin-4-yl)ethanol is sourced from PubChem (CID 83873621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).