2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

C10H16N2O2 — CID 46734493

IUPAC2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPTRVSAQDWGATKL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.38
Rot. Bonds4

About 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one

2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 46734493) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID46734493
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C10H16N2O2/c1-3-5-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14)
InChIKeyPTRVSAQDWGATKL-UHFFFAOYSA-N
XLogP1.38
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 46734493) is 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCCCc1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is PTRVSAQDWGATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-5-6-8-11-9(13)7(4-2)10(14)12-8/h3-6H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one?
2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 196.25 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 46734493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).