5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid

C16H18N2O3 — CID 62085766

IUPAC5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ccc(Oc2cnc(C(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-9(2)15-17-8-13(14(18-15)16(19)20)21-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,19,20)
InChIKeyLMVYIURICYUHHQ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.71
Rot. Bonds4

About 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid

5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62085766) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID62085766
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCc1ccc(Oc2cnc(C(C)C)nc2C(=O)O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-9(2)15-17-8-13(14(18-15)16(19)20)21-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,19,20)
InChIKeyLMVYIURICYUHHQ-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

Analyze 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3,5-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62085770
5-(2,4-dibromophenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 64718870
5-(2,4-dimethylanilino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 63539307
5-(2-cyanophenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62085939
2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid
CID 62084512
5-cyclohexyloxy-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62085600
5-[(3-methylphenyl)methylsulfanyl]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62771097
[5-(2-chloro-4-methylphenoxy)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62672573
3-methyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 107672854
5-methyl-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxybenzoic acid
CID 61396308
3-methyl-4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)oxy]benzoic acid
CID 107672723
2-[4-(2,4-dimethylphenoxy)phenyl]propanoic acid
CID 82305907

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 62085766) is 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid is Cc1ccc(Oc2cnc(C(C)C)nc2C(=O)O)c(C)c1.
What is the InChIKey of 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is LMVYIURICYUHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-9(2)15-17-8-13(14(18-15)16(19)20)21-12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,19,20).
What are the key properties of 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid?
5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-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 5-(2,4-dimethylphenoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62085766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).