2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid

C10H14N2O3 — CID 130631934

IUPAC2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid
SMILESCc1nc(OC(C)(C)C)cc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-6-11-7(9(13)14)5-8(12-6)15-10(2,3)4/h5H,1-4H3,(H,13,14)
InChIKeyHOMPDTQWMFOHJH-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.66
Rot. Bonds2

About 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid

2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid (PubChem CID 130631934) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid
PubChem CID130631934
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid
SMILESCc1nc(OC(C)(C)C)cc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-6-11-7(9(13)14)5-8(12-6)15-10(2,3)4/h5H,1-4H3,(H,13,14)
InChIKeyHOMPDTQWMFOHJH-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid (CID 130631934) is 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid is Cc1nc(OC(C)(C)C)cc(C(=O)O)n1.
What is the InChIKey of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid?
The InChIKey is HOMPDTQWMFOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-11-7(9(13)14)5-8(12-6)15-10(2,3)4/h5H,1-4H3,(H,13,14).
What are the key properties of 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid?
2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylpropan-2-yl)oxy]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 130631934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).