2-ethyl-4-hydroxy-1H-pyrimidin-6-one

C6H8N2O2 — CID 520836

IUPAC2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyCBXPKEZRCKCOID-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.04
Rot. Bonds1

About 2-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 520836) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID520836
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h3H,2H2,1H3,(H2,7,8,9,10)
InChIKeyCBXPKEZRCKCOID-UHFFFAOYSA-N
XLogP0.04
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 520836) is 2-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CBXPKEZRCKCOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h3H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 140.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 520836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).