2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

C16H14N2O2 — CID 103241192

IUPAC2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C16H14N2O2/c1-2-14-17-15(19)10-16(18-14)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyVTHCIQQVASWLGG-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.28
Rot. Bonds3

About 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one

2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (PubChem CID 103241192) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
PubChem CID103241192
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one
SMILESCCc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1
InChIInChI=1S/C16H14N2O2/c1-2-14-17-15(19)10-16(18-14)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H,17,18,19)
InChIKeyVTHCIQQVASWLGG-UHFFFAOYSA-N
XLogP3.28
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241251
2-propan-2-yl-4-[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103241255
4-(2-fluoro-5-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241751
2-ethyl-4-(2-fluoro-5-methylphenoxy)-1H-pyrimidin-6-one
CID 103241752
4-(2-fluoro-5-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241756
4-(4-fluoro-3-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241864
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1H-pyrimidin-6-one
CID 103241866
4-(4-fluoro-3-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241871
4-(4-fluoro-2-methylphenoxy)-2-methyl-1H-pyrimidin-6-one
CID 103241892
2-ethyl-4-(4-fluoro-2-methylphenoxy)-1H-pyrimidin-6-one
CID 103241893
4-(4-fluoro-2-methylphenoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241898
2-ethyl-4-[4-fluoro-3-(trifluoromethyl)phenoxy]-1H-pyrimidin-6-one
CID 103242075

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one (CID 103241192) is 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is CCc1nc(Oc2cccc3ccccc23)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
The InChIKey is VTHCIQQVASWLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-14-17-15(19)10-16(18-14)20-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H,17,18,19).
What are the key properties of 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one?
2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one has a molecular weight of 266.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-naphthalen-1-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).