6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

C13H14N4O3 — CID 82170109

IUPAC6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C13H14N4O3/c1-20-6-5-15-11-7-10(13(18)19)16-12(17-11)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDOHYBHMLGZQQRE-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.30
Rot. Bonds6

About 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid

6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 82170109) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
PubChem CID82170109
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCOCCNc1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C13H14N4O3/c1-20-6-5-15-11-7-10(13(18)19)16-12(17-11)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyDOHYBHMLGZQQRE-UHFFFAOYSA-N
XLogP1.30
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82169826
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130
6-(3-methoxypropylamino)-2-phenyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 112853302
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
N-(3-acetylphenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853174
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-(3-fluorophenyl)-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853177
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(2-methoxyethylamino)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 95454176
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (CID 82170109) is 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is COCCNc1cc(C(=O)O)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is DOHYBHMLGZQQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-6-5-15-11-7-10(13(18)19)16-12(17-11)9-3-2-4-14-8-9/h2-4,7-8H,5-6H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82170109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).