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

C13H15N3O2 — CID 75484558

IUPAC3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCCOc1cccc(Cn2cnc(C)cc2=O)n1
InChIInChI=1S/C13H15N3O2/c1-3-18-12-6-4-5-11(15-12)8-16-9-14-10(2)7-13(16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyNTKJFERMYXBHFN-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.39
Rot. Bonds4

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

3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (PubChem CID 75484558) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
PubChem CID75484558
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one
SMILESCCOc1cccc(Cn2cnc(C)cc2=O)n1
InChIInChI=1S/C13H15N3O2/c1-3-18-12-6-4-5-11(15-12)8-16-9-14-10(2)7-13(16)17/h4-7,9H,3,8H2,1-2H3
InChIKeyNTKJFERMYXBHFN-UHFFFAOYSA-N
XLogP1.39
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.39
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-methylpyrimidin-4-one?
The IUPAC name of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one (CID 75484558) is 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one is CCOc1cccc(Cn2cnc(C)cc2=O)n1.
What is the InChIKey of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
The InChIKey is NTKJFERMYXBHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-18-12-6-4-5-11(15-12)8-16-9-14-10(2)7-13(16)17/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one?
3-[(6-ethoxy-2-pyridinyl)methyl]-6-methylpyrimidin-4-one has a molecular weight of 245.28 g/mol, XLogP of 1.39, 4 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-methylpyrimidin-4-one is sourced from PubChem (CID 75484558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).