4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid

C11H16N2O3 — CID 83181940

IUPAC4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
SMILESCc1nc(OC(C)C(C)C)ncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-5-9(10(14)15)7(3)13-11/h5-6,8H,1-4H3,(H,14,15)
InChIKeyIVDWUKGTOTUUCS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds4

About 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid

4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid (PubChem CID 83181940) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
PubChem CID83181940
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid
SMILESCc1nc(OC(C)C(C)C)ncc1C(=O)O
InChIInChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-5-9(10(14)15)7(3)13-11/h5-6,8H,1-4H3,(H,14,15)
InChIKeyIVDWUKGTOTUUCS-UHFFFAOYSA-N
XLogP1.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethylpyrimidine-5-carboxylic acid
CID 6487595
2-[(E)-but-2-enoxy]-4-methylpyrimidine-5-carboxylic acid
CID 83181790
2-(cyclopropylmethoxy)-4-methylpyrimidine-5-carboxylic acid
CID 23020305
4-methyl-2-(3-methylbutan-2-ylamino)pyrimidine-5-carboxylic acid
CID 83181728
4-methyl-2-(2-phenoxyethoxy)pyrimidine-5-carboxylic acid
CID 83181490
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-(2-methoxyphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181861
2-(4-chloro-3,5-dimethylphenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83181128
2-(3-methoxy-3-methylbutoxy)-4-methylpyrimidine-5-carboxylic acid
CID 106665179
4-methyl-2-[(5-methyl-1H-pyrazol-3-yl)oxy]pyrimidine-5-carboxylic acid
CID 83180987
6-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-4-carboxylic acid
CID 107554981
propan-2-yl 2-methoxy-4-methylpyrimidine-5-carboxylate
CID 133059260

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid (CID 83181940) is 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid is Cc1nc(OC(C)C(C)C)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid?
The InChIKey is IVDWUKGTOTUUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6(2)8(4)16-11-12-5-9(10(14)15)7(3)13-11/h5-6,8H,1-4H3,(H,14,15).
What are the key properties of 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid?
4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylbutan-2-yloxy)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).