4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one

C18H18N2O2 — CID 156620341

IUPAC4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one
SMILESCCOc1nc(=O)n(Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C18H18N2O2/c1-3-22-17-13(2)11-20(18(21)19-17)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-11H,3,12H2,1-2H3
InChIKeyYCENIOUIPRKIQD-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.15
Rot. Bonds4

About 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one

4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one (PubChem CID 156620341) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one
PubChem CID156620341
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one
SMILESCCOc1nc(=O)n(Cc2cccc3ccccc23)cc1C
InChIInChI=1S/C18H18N2O2/c1-3-22-17-13(2)11-20(18(21)19-17)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-11H,3,12H2,1-2H3
InChIKeyYCENIOUIPRKIQD-UHFFFAOYSA-N
XLogP3.15
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one?
The IUPAC name of 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one (CID 156620341) is 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one is CCOc1nc(=O)n(Cc2cccc3ccccc23)cc1C.
What is the InChIKey of 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one?
The InChIKey is YCENIOUIPRKIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-3-22-17-13(2)11-20(18(21)19-17)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-11H,3,12H2,1-2H3.
What are the key properties of 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one?
4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-1-(naphthalen-1-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 156620341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).