5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid

C16H18N2O3 — CID 61396308

IUPAC5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cc(C)nc(C(C)C)n2)c(C(=O)O)c1
InChIInChI=1S/C16H18N2O3/c1-9(2)15-17-11(4)8-14(18-15)21-13-6-5-10(3)7-12(13)16(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyCOYYUGDFUNFATK-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.71
Rot. Bonds4

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

5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid (PubChem CID 61396308) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid.

Molecular Properties

Compound Name5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
PubChem CID61396308
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
SMILESCc1ccc(Oc2cc(C)nc(C(C)C)n2)c(C(=O)O)c1
InChIInChI=1S/C16H18N2O3/c1-9(2)15-17-11(4)8-14(18-15)21-13-6-5-10(3)7-12(13)16(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyCOYYUGDFUNFATK-UHFFFAOYSA-N
XLogP3.71
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dimethylpyrimidin-4-yl)oxy-5-methylbenzoic acid
CID 61396292
3-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 107672854
5-methyl-2-(6-methylpyrimidin-4-yl)oxybenzoic acid
CID 61396364
5-methyl-2-pyridazin-3-yloxybenzoic acid
CID 62481837
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 43517247
2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
CID 63181183
[2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanol
CID 107713532
2-(3,5-dimethylphenoxy)-5-methylbenzoic acid
CID 55192437
2-(5-fluoropyrimidin-2-yl)oxy-5-methylbenzoic acid
CID 104606523
4-chloro-6-(2,5-dimethylphenoxy)-2-propan-2-ylpyrimidine
CID 80949225
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-methylbenzoic acid
CID 105363214
2-aminooxy-5-methylbenzoic acid
CID 154678313

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid?
The IUPAC name of 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid (CID 61396308) is 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid.
What is the SMILES notation for 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid?
The canonical SMILES for 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid is Cc1ccc(Oc2cc(C)nc(C(C)C)n2)c(C(=O)O)c1.
What is the InChIKey of 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid?
The InChIKey is COYYUGDFUNFATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)15-17-11(4)8-14(18-15)21-13-6-5-10(3)7-12(13)16(19)20/h5-9H,1-4H3,(H,19,20).
What are the key properties of 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid?
5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid is sourced from PubChem (CID 61396308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).