2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid

C19H16N2O6 — CID 10177050

IUPAC2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(-c2ccc3cc(OCC(=O)O)ccc3c2)n1
InChIInChI=1S/C19H16N2O6/c1-11-6-16(27-10-18(24)25)21-19(20-11)14-3-2-13-8-15(26-9-17(22)23)5-4-12(13)7-14/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyOGIVOFSZNHKKLJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.53
Rot. Bonds7

About 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid

2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid (PubChem CID 10177050) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
PubChem CID10177050
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
SMILESCc1cc(OCC(=O)O)nc(-c2ccc3cc(OCC(=O)O)ccc3c2)n1
InChIInChI=1S/C19H16N2O6/c1-11-6-16(27-10-18(24)25)21-19(20-11)14-3-2-13-8-15(26-9-17(22)23)5-4-12(13)7-14/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25)
InChIKeyOGIVOFSZNHKKLJ-UHFFFAOYSA-N
XLogP2.53
TPSA118.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-hydroxyphenyl)-6-methylpyrimidin-4-yl]oxyacetic acid
CID 135409286
benzyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-methylpyrimidin-4-yl]oxyacetate
CID 135449938
ethyl 2-[2-[6-(2-chloroethoxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxyacetate
CID 91990722
2-(2,4-dimethylquinolin-6-yl)oxyacetic acid
CID 82580332
2-[6-[4-[(2-fluorophenyl)methoxy]-6-(4-nitrophenyl)pyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid
CID 24885449
3-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)oxypropanoic acid
CID 94075244
N,N-diethyl-2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]oxyacetamide
CID 53136931
ethyl 2-[2-(6-hydroxynaphthalen-2-yl)-6-phenylpyrimidin-4-yl]oxyacetate
CID 135932177
2-[4-(3,5-dimethylphenyl)phenoxy]acetic acid
CID 66680223
2-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxyacetic acid
CID 70198672
2-(7-chloronaphthalen-2-yl)oxyacetic acid
CID 154365176
2-[6-(bromomethyl)naphthalen-2-yl]oxyacetic acid
CID 69228265

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid?
The IUPAC name of 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid (CID 10177050) is 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid?
The canonical SMILES for 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid is Cc1cc(OCC(=O)O)nc(-c2ccc3cc(OCC(=O)O)ccc3c2)n1.
What is the InChIKey of 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid?
The InChIKey is OGIVOFSZNHKKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-11-6-16(27-10-18(24)25)21-19(20-11)14-3-2-13-8-15(26-9-17(22)23)5-4-12(13)7-14/h2-8H,9-10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid?
2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid has a molecular weight of 368.35 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(carboxymethoxy)-6-methylpyrimidin-2-yl]naphthalen-2-yl]oxyacetic acid is sourced from PubChem (CID 10177050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).