6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid

C16H18N2O3 — CID 107554670

IUPAC6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-9(2)13-6-5-12(7-10(13)3)21-16-17-11(4)8-14(18-16)15(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyYGXXJFPZQKXYOZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.71
Rot. Bonds4

About 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid

6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid (PubChem CID 107554670) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
PubChem CID107554670
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Oc2ccc(C(C)C)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-9(2)13-6-5-12(7-10(13)3)21-16-17-11(4)8-14(18-16)15(19)20/h5-9H,1-4H3,(H,19,20)
InChIKeyYGXXJFPZQKXYOZ-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-(4-bromo-3-methylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107555013
2-(4-bromophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554676
2-chloro-6-(3-methyl-4-propan-2-ylphenoxy)pyridine-4-carboxylic acid
CID 43343550
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
6-methyl-2-propan-2-yloxypyrimidine-4-carboxylic acid
CID 55269383
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyrimidine-4-carboxylic acid
CID 107710034
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
CID 107554981
6-methyl-2-(3-nitrophenoxy)pyrimidine-4-carboxylic acid
CID 107554866
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
2-(4-chloro-2,6-dimethylphenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554750
2-[(5-bromo-3-pyridinyl)oxy]-6-methylpyrimidine-4-carboxylic acid
CID 107554945
2-(3-bromo-5-fluorophenoxy)-6-methylpyrimidine-4-carboxylic acid
CID 107554983

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid (CID 107554670) is 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Oc2ccc(C(C)C)c(C)c2)n1.
What is the InChIKey of 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid?
The InChIKey is YGXXJFPZQKXYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)13-6-5-12(7-10(13)3)21-16-17-11(4)8-14(18-16)15(19)20/h5-9H,1-4H3,(H,19,20).
What are the key properties of 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid?
6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic 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 6-methyl-2-(3-methyl-4-propan-2-ylphenoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107554670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).