1-ethyl-6-hydroxypyrimidine-2,4-dione

C6H8N2O3 — CID 4899035

IUPAC1-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-8-5(10)3-4(9)7-6(8)11/h3,10H,2H2,1H3,(H,7,9,11)
InChIKeyTYWMMHVBNSMCCK-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.74
Rot. Bonds1

About 1-ethyl-6-hydroxypyrimidine-2,4-dione

1-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 4899035) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 1-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID4899035
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name1-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCn1c(O)cc(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-2-8-5(10)3-4(9)7-6(8)11/h3,10H,2H2,1H3,(H,7,9,11)
InChIKeyTYWMMHVBNSMCCK-UHFFFAOYSA-N
XLogP-0.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-6-hydroxypyrimidine-2,4-dione (CID 4899035) is 1-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-6-hydroxypyrimidine-2,4-dione is CCn1c(O)cc(=O)[nH]c1=O.
What is the InChIKey of 1-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is TYWMMHVBNSMCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-2-8-5(10)3-4(9)7-6(8)11/h3,10H,2H2,1H3,(H,7,9,11).
What are the key properties of 1-ethyl-6-hydroxypyrimidine-2,4-dione?
1-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 4899035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).