methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate

C19H16N2O6 — CID 54269329

IUPACmethyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1cccc2ccc(Oc3nc(OC)cc(OC)n3)cc12
InChIInChI=1S/C19H16N2O6/c1-24-15-10-16(25-2)21-19(20-15)27-12-8-7-11-5-4-6-13(14(11)9-12)17(22)18(23)26-3/h4-10H,1-3H3
InChIKeyRJALLTQROCRBOC-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.80
Rot. Bonds6

About methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate

methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate (PubChem CID 54269329) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate
PubChem CID54269329
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Namemethyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate
SMILESCOC(=O)C(=O)c1cccc2ccc(Oc3nc(OC)cc(OC)n3)cc12
InChIInChI=1S/C19H16N2O6/c1-24-15-10-16(25-2)21-19(20-15)27-12-8-7-11-5-4-6-13(14(11)9-12)17(22)18(23)26-3/h4-10H,1-3H3
InChIKeyRJALLTQROCRBOC-UHFFFAOYSA-N
XLogP2.80
TPSA96.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate with MolForge

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Related Compounds

(E)-2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-3-methoxyprop-2-enoic acid
CID 67643765
methyl 2-oxo-2-(7-phenylmethoxynaphthalen-1-yl)acetate
CID 67636313
[3-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl] acetate
CID 134120094
4-(4,6-dimethoxypyrimidin-2-yl)oxybenzoic acid
CID 4615865
3-(4,6-dimethoxypyrimidin-2-yl)oxy-2-hydroxybenzoic acid
CID 142634334
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
N-[2-(7-methoxynaphthalen-1-yl)-2-oxoethyl]acetamide
CID 44541672
[2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]phenyl]methanol
CID 54218781
2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-2-hydroxypropyl]benzamide
CID 20788759
2-(4-bromophenoxy)-4,6-dimethoxypyrimidine
CID 113292889
4-(4,6-dimethoxypyrimidin-2-yl)oxyaniline
CID 113292982
2-[4-(chloromethyl)phenoxy]-4,6-dimethoxypyrimidine
CID 139084188

Frequently Asked Questions

What is the IUPAC name of methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate?
The IUPAC name of methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate (CID 54269329) is methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate.
What is the SMILES notation for methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate?
The canonical SMILES for methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate is COC(=O)C(=O)c1cccc2ccc(Oc3nc(OC)cc(OC)n3)cc12.
What is the InChIKey of methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate?
The InChIKey is RJALLTQROCRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-24-15-10-16(25-2)21-19(20-15)27-12-8-7-11-5-4-6-13(14(11)9-12)17(22)18(23)26-3/h4-10H,1-3H3.
What are the key properties of methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate?
methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate has a molecular weight of 368.35 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[7-(4,6-dimethoxypyrimidin-2-yl)oxynaphthalen-1-yl]-2-oxoacetate is sourced from PubChem (CID 54269329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).