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

C9H14N2O2 — CID 46734449

IUPAC5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-7-10-8(12)6(4-2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeySVVQREIRVVSBHB-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.99
Rot. Bonds3

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

5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one (PubChem CID 46734449) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
PubChem CID46734449
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one
SMILESCCCc1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C9H14N2O2/c1-3-5-7-10-8(12)6(4-2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13)
InChIKeySVVQREIRVVSBHB-UHFFFAOYSA-N
XLogP0.99
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one (CID 46734449) is 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one is CCCc1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one?
The InChIKey is SVVQREIRVVSBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-3-5-7-10-8(12)6(4-2)9(13)11-7/h3-5H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one has a molecular weight of 182.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-2-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 46734449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).