6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid

C23H18N2O4 — CID 68746787

IUPAC6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12
InChIInChI=1S/C23H18N2O4/c26-23(27)21-8-4-7-17-11-19(9-10-20(17)21)29-22-12-18(24-15-25-22)14-28-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,26,27)
InChIKeyHAVOZHQBIKPIAF-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.84
Rot. Bonds7

About 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid

6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid (PubChem CID 68746787) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
PubChem CID68746787
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid
SMILESO=C(O)c1cccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12
InChIInChI=1S/C23H18N2O4/c26-23(27)21-8-4-7-17-11-19(9-10-20(17)21)29-22-12-18(24-15-25-22)14-28-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,26,27)
InChIKeyHAVOZHQBIKPIAF-UHFFFAOYSA-N
XLogP4.84
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 87555301
CID 87555301
(4-nitrophenyl) 5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindole-1-carboxylate
CID 59394514
N-(3-cyclopropylphenyl)-6-[6-(methoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652495
N-(4-tert-butylphenyl)-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23653203
[5-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxyindol-1-yl] N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamate
CID 129018228
CID 178083953
CID 178083953
6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 23653451
N-[2-(3-tert-butylphenyl)phenyl]-6-[6-(hydroxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 23652435
6-(7-chloroquinolin-4-yl)oxynaphthalene-1-carboxylic acid
CID 59590548
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
6-hex-5-enoxynaphthalene-1-carboxylic acid
CID 57076344
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The IUPAC name of 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid (CID 68746787) is 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The canonical SMILES for 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid is O=C(O)c1cccc2cc(Oc3cc(COCc4ccccc4)ncn3)ccc12.
What is the InChIKey of 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
The InChIKey is HAVOZHQBIKPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O4/c26-23(27)21-8-4-7-17-11-19(9-10-20(17)21)29-22-12-18(24-15-25-22)14-28-13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,26,27).
What are the key properties of 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid?
6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid has a molecular weight of 386.41 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(phenylmethoxymethyl)pyrimidin-4-yl]oxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 68746787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).