3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one

C14H17N3O2 — CID 91660393

IUPAC3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one
SMILESCCOc1cccc(Cn2cnc(CC)cc2=O)n1
InChIInChI=1S/C14H17N3O2/c1-3-11-8-14(18)17(10-15-11)9-12-6-5-7-13(16-12)19-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUHVKQJRQPPVHRF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.65
Rot. Bonds5

About 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one

3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one (PubChem CID 91660393) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one
PubChem CID91660393
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one
SMILESCCOc1cccc(Cn2cnc(CC)cc2=O)n1
InChIInChI=1S/C14H17N3O2/c1-3-11-8-14(18)17(10-15-11)9-12-6-5-7-13(16-12)19-4-2/h5-8,10H,3-4,9H2,1-2H3
InChIKeyUHVKQJRQPPVHRF-UHFFFAOYSA-N
XLogP1.65
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one (CID 91660393) is 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one is CCOc1cccc(Cn2cnc(CC)cc2=O)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one?
The InChIKey is UHVKQJRQPPVHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-3-11-8-14(18)17(10-15-11)9-12-6-5-7-13(16-12)19-4-2/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one?
3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-2-pyridinyl)methyl]-6-ethylpyrimidin-4-one is sourced from PubChem (CID 91660393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).