benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate

C24H20N2O4 — CID 135449938

IUPACbenzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
SMILESCc1cc(OCC(=O)OCc2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1
InChIInChI=1S/C24H20N2O4/c1-16-11-22(29-15-23(28)30-14-17-5-3-2-4-6-17)26-24(25-16)20-8-7-19-13-21(27)10-9-18(19)12-20/h2-13,27H,14-15H2,1H3
InChIKeySLGCPVDQYZEHSC-UHFFFAOYSA-N
MW400.43 g/mol
LogP4.43
Rot. Bonds6

About benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate

benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate (PubChem CID 135449938) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate.

Molecular Properties

Compound Namebenzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
PubChem CID135449938
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Namebenzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
SMILESCc1cc(OCC(=O)OCc2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1
InChIInChI=1S/C24H20N2O4/c1-16-11-22(29-15-23(28)30-14-17-5-3-2-4-6-17)26-24(25-16)20-8-7-19-13-21(27)10-9-18(19)12-20/h2-13,27H,14-15H2,1H3
InChIKeySLGCPVDQYZEHSC-UHFFFAOYSA-N
XLogP4.43
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
CID 135409286
2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
CID 10177050
ethyl 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932191
ethyl 2-[2-[6-(2-chloroethoxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxyacetate
CID 91990722
2-(4-fluorophenyl)-4-methyl-6-phenylmethoxypyrimidine
CID 95922321
sodium 4-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxybutanoate
CID 135932192
4-methyl-2-(4-methylphenyl)-6-[(4-methylphenyl)methoxy]pyrimidine
CID 95923110
1-(4-methyl-6-phenylmethoxypyrimidin-2-yl)ethanone
CID 170640785
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-[3-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]acetate
CID 10576104
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate?
The IUPAC name of benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate (CID 135449938) is benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate.
What is the SMILES notation for benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate?
The canonical SMILES for benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate is Cc1cc(OCC(=O)OCc2ccccc2)nc(-c2ccc3cc(O)ccc3c2)n1.
What is the InChIKey of benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate?
The InChIKey is SLGCPVDQYZEHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-16-11-22(29-15-23(28)30-14-17-5-3-2-4-6-17)26-24(25-16)20-8-7-19-13-21(27)10-9-18(19)12-20/h2-13,27H,14-15H2,1H3.
What are the key properties of benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate?
benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate has a molecular weight of 400.43 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate is sourced from PubChem (CID 135449938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).