5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid

C15H15N7O2 — CID 68701250

IUPAC5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
SMILESCNc1cc(-n2nccc2Nc2nc(C(=O)O)ccc2C)ncn1
InChIInChI=1S/C15H15N7O2/c1-9-3-4-10(15(23)24)20-14(9)21-12-5-6-19-22(12)13-7-11(16-2)17-8-18-13/h3-8H,1-2H3,(H,20,21)(H,23,24)(H,16,17,18)
InChIKeyVFZQJYGJODTUFG-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.85
Rot. Bonds5

About 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid

5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid (PubChem CID 68701250) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
PubChem CID68701250
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid
SMILESCNc1cc(-n2nccc2Nc2nc(C(=O)O)ccc2C)ncn1
InChIInChI=1S/C15H15N7O2/c1-9-3-4-10(15(23)24)20-14(9)21-12-5-6-19-22(12)13-7-11(16-2)17-8-18-13/h3-8H,1-2H3,(H,20,21)(H,23,24)(H,16,17,18)
InChIKeyVFZQJYGJODTUFG-UHFFFAOYSA-N
XLogP1.85
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid (CID 68701250) is 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid is CNc1cc(-n2nccc2Nc2nc(C(=O)O)ccc2C)ncn1.
What is the InChIKey of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is VFZQJYGJODTUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-9-3-4-10(15(23)24)20-14(9)21-12-5-6-19-22(12)13-7-11(16-2)17-8-18-13/h3-8H,1-2H3,(H,20,21)(H,23,24)(H,16,17,18).
What are the key properties of 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid?
5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 325.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[2-[6-(methylamino)pyrimidin-4-yl]pyrazol-3-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 68701250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).