1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione

C11H11N3O3 — CID 121206672

IUPAC1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
SMILESO=c1cc(-c2ccncc2)n(CCO)c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c15-6-5-14-9(7-10(16)13-11(14)17)8-1-3-12-4-2-8/h1-4,7,15H,5-6H2,(H,13,16,17)
InChIKeyQVMXYPGHMSRMFA-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.41
Rot. Bonds3

About 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione

1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione (PubChem CID 121206672) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
PubChem CID121206672
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione
SMILESO=c1cc(-c2ccncc2)n(CCO)c(=O)[nH]1
InChIInChI=1S/C11H11N3O3/c15-6-5-14-9(7-10(16)13-11(14)17)8-1-3-12-4-2-8/h1-4,7,15H,5-6H2,(H,13,16,17)
InChIKeyQVMXYPGHMSRMFA-UHFFFAOYSA-N
XLogP-0.41
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione (CID 121206672) is 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione is O=c1cc(-c2ccncc2)n(CCO)c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione?
The InChIKey is QVMXYPGHMSRMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c15-6-5-14-9(7-10(16)13-11(14)17)8-1-3-12-4-2-8/h1-4,7,15H,5-6H2,(H,13,16,17).
What are the key properties of 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione?
1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione has a molecular weight of 233.23 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-pyridin-4-ylpyrimidine-2,4-dione is sourced from PubChem (CID 121206672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).