6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid

C16H19N3O3 — CID 82170225

IUPAC6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)nc(COc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-3-19(4-2)15-10-13(16(20)21)17-14(18-15)11-22-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyMOHGOBGTZYQCHQ-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.60
Rot. Bonds7

About 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid

6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid (PubChem CID 82170225) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
PubChem CID82170225
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid
SMILESCCN(CC)c1cc(C(=O)O)nc(COc2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-3-19(4-2)15-10-13(16(20)21)17-14(18-15)11-22-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyMOHGOBGTZYQCHQ-UHFFFAOYSA-N
XLogP2.60
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid (CID 82170225) is 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid is CCN(CC)c1cc(C(=O)O)nc(COc2ccccc2)n1.
What is the InChIKey of 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid?
The InChIKey is MOHGOBGTZYQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-19(4-2)15-10-13(16(20)21)17-14(18-15)11-22-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid?
6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-2-(phenoxymethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).