2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid

C15H16N2O3 — CID 82168708

IUPAC2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)c1ccccc1OCc1ncc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O3/c1-10(2)12-5-3-4-6-13(12)20-9-14-16-7-11(8-17-14)15(18)19/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyZDXVVKLFXOOVGG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid

2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid (PubChem CID 82168708) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
PubChem CID82168708
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid
SMILESCC(C)c1ccccc1OCc1ncc(C(=O)O)cn1
InChIInChI=1S/C15H16N2O3/c1-10(2)12-5-3-4-6-13(12)20-9-14-16-7-11(8-17-14)15(18)19/h3-8,10H,9H2,1-2H3,(H,18,19)
InChIKeyZDXVVKLFXOOVGG-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dimethylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 82168712
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
2,2-dimethyl-3-(2-propan-2-ylphenoxy)propanoic acid
CID 20986649
4,6-dichloro-2-[(2-propan-2-ylphenoxy)methyl]pyrimidine
CID 82169635
N'-[2-(2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 922574
4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoic acid
CID 19165036
(1S)-1-[2-(pyrimidin-2-ylmethoxy)phenyl]ethanol
CID 78931636
3-methyl-4-(2-propan-2-ylphenoxy)butanoic acid
CID 112508341
1-phenyl-3-(2-propan-2-ylphenoxy)propan-2-one
CID 43799955
N-methyl-2-(2-propan-2-ylphenoxy)acetohydrazide
CID 116820498
2-[2-[(5-fluoro-2-pyridinyl)methoxy]phenyl]propanoic acid
CID 142793839

Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid (CID 82168708) is 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid is CC(C)c1ccccc1OCc1ncc(C(=O)O)cn1.
What is the InChIKey of 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is ZDXVVKLFXOOVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(2)12-5-3-4-6-13(12)20-9-14-16-7-11(8-17-14)15(18)19/h3-8,10H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid?
2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82168708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).