6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid

C10H14N2O3 — CID 83852238

IUPAC6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)7-5-6(8(13)14)11-9(12-7)15-4/h5H,1-4H3,(H,13,14)
InChIKeyWSYNRGZDKAWLTQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.48
Rot. Bonds2

About 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid

6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid (PubChem CID 83852238) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid
PubChem CID83852238
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid
SMILESCOc1nc(C(=O)O)cc(C(C)(C)C)n1
InChIInChI=1S/C10H14N2O3/c1-10(2,3)7-5-6(8(13)14)11-9(12-7)15-4/h5H,1-4H3,(H,13,14)
InChIKeyWSYNRGZDKAWLTQ-UHFFFAOYSA-N
XLogP1.48
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-6-methylsulfanylpyridine-4-carboxylic acid
CID 84690011
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
2-tert-butyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560467
2-tert-butyl-7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271525
2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 83824405
5-tert-butylbenzene-1,3-dicarboxylic acid
CID 159495338
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
6-methoxy-4-methylpyridine-2,5-dicarboxylic acid
CID 91509956
2-(2-tert-butyl-6-methoxyquinolin-4-yl)acetic acid
CID 82449826
2-(2-tert-butyl-5-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107554641
CID 67900504
CID 67900504
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
CID 130114973

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid?
The IUPAC name of 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid (CID 83852238) is 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid?
The canonical SMILES for 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid is COc1nc(C(=O)O)cc(C(C)(C)C)n1.
What is the InChIKey of 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid?
The InChIKey is WSYNRGZDKAWLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-10(2,3)7-5-6(8(13)14)11-9(12-7)15-4/h5H,1-4H3,(H,13,14).
What are the key properties of 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid?
6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methoxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).