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

C16H18N2O3 — CID 107672524

IUPAC2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-9(2)14-8-11(4)17-16(18-14)21-12-5-6-13(15(19)20)10(3)7-12/h5-9H,1-4H3,(H,19,20)
InChIKeyDYTICBIFMGWRIV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.71
Rot. Bonds4

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

2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid (PubChem CID 107672524) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid.

Molecular Properties

Compound Name2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
PubChem CID107672524
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
SMILESCc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-9(2)14-8-11(4)17-16(18-14)21-12-5-6-13(15(19)20)10(3)7-12/h5-9H,1-4H3,(H,19,20)
InChIKeyDYTICBIFMGWRIV-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The IUPAC name of 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid (CID 107672524) is 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid.
What is the SMILES notation for 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The canonical SMILES for 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid is Cc1cc(C(C)C)nc(Oc2ccc(C(=O)O)c(C)c2)n1.
What is the InChIKey of 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
The InChIKey is DYTICBIFMGWRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)14-8-11(4)17-16(18-14)21-12-5-6-13(15(19)20)10(3)7-12/h5-9H,1-4H3,(H,19,20).
What are the key properties of 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid?
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-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 2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid is sourced from PubChem (CID 107672524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).