2-amino-2-(2H-pyrimidin-1-yl)ethanol

C6H11N3O — CID 174708739

IUPAC2-amino-2-(2H-pyrimidin-1-yl)ethanol
SMILESNC(CO)N1C=CC=NC1
InChIInChI=1S/C6H11N3O/c7-6(4-10)9-3-1-2-8-5-9/h1-3,6,10H,4-5,7H2
InChIKeyFSLOCNCQJZXFBX-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.88
Rot. Bonds2

About 2-amino-2-(2H-pyrimidin-1-yl)ethanol

2-amino-2-(2H-pyrimidin-1-yl)ethanol (PubChem CID 174708739) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-2-(2H-pyrimidin-1-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(2H-pyrimidin-1-yl)ethanol
PubChem CID174708739
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-amino-2-(2H-pyrimidin-1-yl)ethanol
SMILESNC(CO)N1C=CC=NC1
InChIInChI=1S/C6H11N3O/c7-6(4-10)9-3-1-2-8-5-9/h1-3,6,10H,4-5,7H2
InChIKeyFSLOCNCQJZXFBX-UHFFFAOYSA-N
XLogP-0.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2H-pyrimidin-1-yl)ethanol?
The IUPAC name of 2-amino-2-(2H-pyrimidin-1-yl)ethanol (CID 174708739) is 2-amino-2-(2H-pyrimidin-1-yl)ethanol.
What is the SMILES notation for 2-amino-2-(2H-pyrimidin-1-yl)ethanol?
The canonical SMILES for 2-amino-2-(2H-pyrimidin-1-yl)ethanol is NC(CO)N1C=CC=NC1.
What is the InChIKey of 2-amino-2-(2H-pyrimidin-1-yl)ethanol?
The InChIKey is FSLOCNCQJZXFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-6(4-10)9-3-1-2-8-5-9/h1-3,6,10H,4-5,7H2.
What are the key properties of 2-amino-2-(2H-pyrimidin-1-yl)ethanol?
2-amino-2-(2H-pyrimidin-1-yl)ethanol has a molecular weight of 141.17 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2H-pyrimidin-1-yl)ethanol is sourced from PubChem (CID 174708739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).