5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

C15H26N2O2 — CID 70908161

IUPAC5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-9-10-15(3,4)14-16-12(18)11(6-2)13(19)17-14/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyQYIRIEMDSPMRFT-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.29
Rot. Bonds7

About 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one

5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (PubChem CID 70908161) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
PubChem CID70908161
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one
SMILESCCCCCCC(C)(C)c1nc(O)c(CC)c(=O)[nH]1
InChIInChI=1S/C15H26N2O2/c1-5-7-8-9-10-15(3,4)14-16-12(18)11(6-2)13(19)17-14/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyQYIRIEMDSPMRFT-UHFFFAOYSA-N
XLogP3.29
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one (CID 70908161) is 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is CCCCCCC(C)(C)c1nc(O)c(CC)c(=O)[nH]1.
What is the InChIKey of 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
The InChIKey is QYIRIEMDSPMRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-7-8-9-10-15(3,4)14-16-12(18)11(6-2)13(19)17-14/h5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one?
5-ethyl-4-hydroxy-2-(2-methyloctan-2-yl)-1H-pyrimidin-6-one has a molecular weight of 266.38 g/mol, XLogP of 3.29, 7 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-(2-methyloctan-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 70908161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).