2-amino-1-(1-hydroxyethyl)pyrimidin-4-one

C6H9N3O2 — CID 175280713

IUPAC2-amino-1-(1-hydroxyethyl)pyrimidin-4-one
SMILESCC(O)n1ccc(=O)nc1N
InChIInChI=1S/C6H9N3O2/c1-4(10)9-3-2-5(11)8-6(9)7/h2-4,10H,1H3,(H2,7,8,11)
InChIKeyQYBUJNZVFIRJCD-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.66
Rot. Bonds1

About 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one

2-amino-1-(1-hydroxyethyl)pyrimidin-4-one (PubChem CID 175280713) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-(1-hydroxyethyl)pyrimidin-4-one
PubChem CID175280713
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name2-amino-1-(1-hydroxyethyl)pyrimidin-4-one
SMILESCC(O)n1ccc(=O)nc1N
InChIInChI=1S/C6H9N3O2/c1-4(10)9-3-2-5(11)8-6(9)7/h2-4,10H,1H3,(H2,7,8,11)
InChIKeyQYBUJNZVFIRJCD-UHFFFAOYSA-N
XLogP-0.66
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one (CID 175280713) is 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one is CC(O)n1ccc(=O)nc1N.
What is the InChIKey of 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one?
The InChIKey is QYBUJNZVFIRJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-4(10)9-3-2-5(11)8-6(9)7/h2-4,10H,1H3,(H2,7,8,11).
What are the key properties of 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one?
2-amino-1-(1-hydroxyethyl)pyrimidin-4-one has a molecular weight of 155.16 g/mol, XLogP of -0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-hydroxyethyl)pyrimidin-4-one is sourced from PubChem (CID 175280713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).