5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid

C15H16N2O3 — CID 61396377

IUPAC5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
SMILESCCCc1cc(Oc2ccc(C)cc2C(=O)O)ncn1
InChIInChI=1S/C15H16N2O3/c1-3-4-11-8-14(17-9-16-11)20-13-6-5-10(2)7-12(13)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUJYMAYMIMBXDGZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.23
Rot. Bonds5

About 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid

5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 61396377) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
PubChem CID61396377
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid
SMILESCCCc1cc(Oc2ccc(C)cc2C(=O)O)ncn1
InChIInChI=1S/C15H16N2O3/c1-3-4-11-8-14(17-9-16-11)20-13-6-5-10(2)7-12(13)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19)
InChIKeyUJYMAYMIMBXDGZ-UHFFFAOYSA-N
XLogP3.23
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
5-bromo-2-(6-ethylpyrimidin-4-yl)oxybenzoic acid
CID 107730256
2-methyl-3-(6-propylpyrimidin-4-yl)oxyphenol
CID 61241114
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
5-methyl-2-nonoxybenzoic acid
CID 63463067
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
CID 105363214
5-methyl-2-thieno[3,2-d]pyrimidin-4-yloxybenzoic acid
CID 61396250
2-(2-ethylbutoxy)-5-methylbenzoic acid
CID 82926706

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid (CID 61396377) is 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid is CCCc1cc(Oc2ccc(C)cc2C(=O)O)ncn1.
What is the InChIKey of 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is UJYMAYMIMBXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-4-11-8-14(17-9-16-11)20-13-6-5-10(2)7-12(13)15(18)19/h5-9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid?
5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-propylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 61396377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).