4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid

C16H18N2O7S — CID 67486111

IUPAC4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid
SMILESCOCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)nc(C(=O)O)n1
InChIInChI=1S/C16H18N2O7S/c1-10(9-23-2)24-13-8-14(18-15(17-13)16(19)20)25-11-4-6-12(7-5-11)26(3,21)22/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyYYFFTOXGQCZSMO-UHFFFAOYSA-N
MW382.39 g/mol
LogP1.78
Rot. Bonds8

About 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid

4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid (PubChem CID 67486111) has the molecular formula C16H18N2O7S and a molecular weight of 382.39 g/mol. Its IUPAC name is 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid
PubChem CID67486111
Molecular FormulaC16H18N2O7S
Molecular Weight382.39 g/mol
Exact Mass382.08
IUPAC Name4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid
SMILESCOCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)nc(C(=O)O)n1
InChIInChI=1S/C16H18N2O7S/c1-10(9-23-2)24-13-8-14(18-15(17-13)16(19)20)25-11-4-6-12(7-5-11)26(3,21)22/h4-8,10H,9H2,1-3H3,(H,19,20)
InChIKeyYYFFTOXGQCZSMO-UHFFFAOYSA-N
XLogP1.78
TPSA124.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-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

2-[(2R)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)-6-(4-methylsulfonylphenoxy)pyridine-4-carboxamide
CID 67489794
6-[[2-(4-ethylsulfonylphenoxy)-6-[(2R)-1-methoxypropan-2-yl]oxypyridine-4-carbonyl]amino]pyridine-3-carboxylic acid
CID 67489750
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)aniline
CID 59627783
N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(4-piperazin-1-ylsulfonylphenoxy)pyridine-4-carboxamide
CID 143828141
3-[(2S)-1-hydroxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoic acid
CID 59404949
2-[2-[[2-[(2R)-1-hydroxypropan-2-yl]oxy-6-(4-methylsulfonylphenoxy)pyridine-4-carbonyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 87420004
N-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 59514361
3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 71021564
3-[[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)benzoyl]amino]-5-methylpyrazole-1-carboxylic acid
CID 66921267
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-4-(1-methoxypropan-2-ylamino)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxamide
CID 143853408
N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)benzamide
CID 10028607
N-ethyl-2-[[5-[3-(1-methoxypropan-2-yloxy)-5-(4-methylsulfonylphenoxy)phenyl]-1H-pyrazol-3-yl]oxy]acetamide
CID 67065812

Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid?
The IUPAC name of 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid (CID 67486111) is 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid.
What is the SMILES notation for 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid?
The canonical SMILES for 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid is COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)cc2)nc(C(=O)O)n1.
What is the InChIKey of 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid?
The InChIKey is YYFFTOXGQCZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O7S/c1-10(9-23-2)24-13-8-14(18-15(17-13)16(19)20)25-11-4-6-12(7-5-11)26(3,21)22/h4-8,10H,9H2,1-3H3,(H,19,20).
What are the key properties of 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid?
4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid has a molecular weight of 382.39 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxypropan-2-yloxy)-6-(4-methylsulfonylphenoxy)pyrimidine-2-carboxylic acid is sourced from PubChem (CID 67486111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).