2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid

C14H21N3O3 — CID 83181617

IUPAC2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCOC2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-10-12(13(18)19)9-16-14(17-10)15-7-8-20-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyHJZMAJROYGIDMU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.24
Rot. Bonds6

About 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid

2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181617) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181617
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(NCCOC2CCCCC2)ncc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-10-12(13(18)19)9-16-14(17-10)15-7-8-20-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyHJZMAJROYGIDMU-UHFFFAOYSA-N
XLogP2.24
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.24
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 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid (CID 83181617) is 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid is Cc1nc(NCCOC2CCCCC2)ncc1C(=O)O.
What is the InChIKey of 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is HJZMAJROYGIDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-12(13(18)19)9-16-14(17-10)15-7-8-20-11-5-3-2-4-6-11/h9,11H,2-8H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid?
2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethylamino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).