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

C12H12N4O2 — CID 82169826

IUPAC6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C12H12N4O2/c1-2-14-10-6-9(12(17)18)15-11(16-10)8-4-3-5-13-7-8/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYOKGGOXZPZKDON-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.67
Rot. Bonds4

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

6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (PubChem CID 82169826) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
PubChem CID82169826
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
SMILESCCNc1cc(C(=O)O)nc(-c2cccnc2)n1
InChIInChI=1S/C12H12N4O2/c1-2-14-10-6-9(12(17)18)15-11(16-10)8-4-3-5-13-7-8/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16)
InChIKeyYOKGGOXZPZKDON-UHFFFAOYSA-N
XLogP1.67
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170109
6-methyl-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 62746595
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169824
N-butan-2-yl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112852584
N,2-diethyl-6-pyridin-3-ylpyrimidin-4-amine
CID 78990312
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
N-ethyl-2-phenyl-6-pyrazin-2-ylpyrimidin-4-amine
CID 115915110
N-pentyl-2-phenyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 112854090
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
1-(6-propyl-2-pyridin-3-ylpyrimidin-4-yl)pyrazole-3-carboxylic acid
CID 56767729

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid (CID 82169826) is 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is CCNc1cc(C(=O)O)nc(-c2cccnc2)n1.
What is the InChIKey of 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
The InChIKey is YOKGGOXZPZKDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-14-10-6-9(12(17)18)15-11(16-10)8-4-3-5-13-7-8/h3-7H,2H2,1H3,(H,17,18)(H,14,15,16).
What are the key properties of 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid?
6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-pyridin-3-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 82169826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).