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

C11H17N3O3 — CID 95454176

IUPAC6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)10-13-8(11(15)16)6-9(14-10)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyGJIZTVGZCXWFBN-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.36
Rot. Bonds6

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

6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (PubChem CID 95454176) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
PubChem CID95454176
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc(C(C)C)n1
InChIInChI=1S/C11H17N3O3/c1-7(2)10-13-8(11(15)16)6-9(14-10)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyGJIZTVGZCXWFBN-UHFFFAOYSA-N
XLogP1.36
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid (CID 95454176) is 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is COCCNc1cc(C(=O)O)nc(C(C)C)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is GJIZTVGZCXWFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(2)10-13-8(11(15)16)6-9(14-10)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid?
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 95454176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).