2-pentan-2-yloxypyrimidine-4-carboxylic acid

C10H14N2O3 — CID 107555052

IUPAC2-pentan-2-yloxypyrimidine-4-carboxylic acid
SMILESCCCC(C)Oc1nccc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-3-4-7(2)15-10-11-6-5-8(12-10)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyRWHVTSOGJXPOPP-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.74
Rot. Bonds5

About 2-pentan-2-yloxypyrimidine-4-carboxylic acid

2-pentan-2-yloxypyrimidine-4-carboxylic acid (PubChem CID 107555052) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-pentan-2-yloxypyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pentan-2-yloxypyrimidine-4-carboxylic acid
PubChem CID107555052
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-pentan-2-yloxypyrimidine-4-carboxylic acid
SMILESCCCC(C)Oc1nccc(C(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-3-4-7(2)15-10-11-6-5-8(12-10)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeyRWHVTSOGJXPOPP-UHFFFAOYSA-N
XLogP1.74
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyethoxy)pyrimidine-4-carboxylic acid
CID 107554746
2-(2,2-difluoroethoxy)pyrimidine-4-carboxylic acid
CID 107555001
2-pentan-2-yloxypyridine-3-carboxylic acid
CID 102980912
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(2-methylpropyl)pyrimidine-4-carboxylic acid
CID 62749024
4-butan-2-yloxypyridine-2-carboxylic acid
CID 60903768
4-pentan-2-yloxypyridine-2-carbothioamide
CID 102981815
2-(3-methoxy-3-methylbutoxy)pyrimidine-4-carboxylic acid
CID 107555073
2-but-3-ynoxypyrimidine-4-carboxylic acid
CID 107555077
2-(3,5-dimethoxyphenoxy)pyrimidine-4-carboxylic acid
CID 107554624
2-but-3-enoxypyrimidine-4-carboxylic acid
CID 107554637
2-(5-fluoro-2-methylphenoxy)pyrimidine-4-carboxylic acid
CID 107555050

Frequently Asked Questions

What is the IUPAC name of 2-pentan-2-yloxypyrimidine-4-carboxylic acid?
The IUPAC name of 2-pentan-2-yloxypyrimidine-4-carboxylic acid (CID 107555052) is 2-pentan-2-yloxypyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pentan-2-yloxypyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pentan-2-yloxypyrimidine-4-carboxylic acid is CCCC(C)Oc1nccc(C(=O)O)n1.
What is the InChIKey of 2-pentan-2-yloxypyrimidine-4-carboxylic acid?
The InChIKey is RWHVTSOGJXPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-4-7(2)15-10-11-6-5-8(12-10)9(13)14/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-pentan-2-yloxypyrimidine-4-carboxylic acid?
2-pentan-2-yloxypyrimidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-2-yloxypyrimidine-4-carboxylic acid is sourced from PubChem (CID 107555052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).