2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid

C10H14N2O3 — CID 83820785

IUPAC2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)7-4-8(10(13)14)12-9(11-7)5-15-3/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyQLYHMXCLZQSHPM-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.44
Rot. Bonds4

About 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid

2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 83820785) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID83820785
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCOCc1nc(C(=O)O)cc(C(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-6(2)7-4-8(10(13)14)12-9(11-7)5-15-3/h4,6H,5H2,1-3H3,(H,13,14)
InChIKeyQLYHMXCLZQSHPM-UHFFFAOYSA-N
XLogP1.44
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 83824405
6-cyclopropyl-2-(methoxymethyl)pyrimidine-4-carboxylic acid
CID 83820399
2-(methoxymethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 62190414
4-cyano-6-propan-2-ylpyridine-2-carboxylic acid
CID 68506596
6-propan-2-ylpyrimidine-4-carboxylic acid
CID 83815903
2,6-diethylpyrimidine-4-carboxylic acid
CID 83816909
6-(methylamino)-2-[(3-propan-2-ylphenoxy)methyl]pyrimidine-4-carboxylic acid
CID 82169751
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95454176
methyl 2-cyclopropyl-6-propan-2-ylpyrimidine-4-carboxylate
CID 122239311
2-[2-methoxyethyl(methyl)amino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 113380189
6-propan-2-ylpyrazine-2-carboxylic acid
CID 59618308
6-butan-2-yl-2-cyclopropylpyrimidine-4-carboxylic acid
CID 121206911

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid (CID 83820785) is 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid is COCc1nc(C(=O)O)cc(C(C)C)n1.
What is the InChIKey of 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is QLYHMXCLZQSHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)7-4-8(10(13)14)12-9(11-7)5-15-3/h4,6H,5H2,1-3H3,(H,13,14).
What are the key properties of 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid?
2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 83820785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).