4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C13H19N3O3 — CID 66331927

IUPAC4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ncnc(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-11(14-7-15-12(8)19-2)16-10-5-3-9(4-6-10)13(17)18/h7,9-10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyWPWJJLQMXVHUBG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.85
Rot. Bonds4

About 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 66331927) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID66331927
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCOc1ncnc(NC2CCC(C(=O)O)CC2)c1C
InChIInChI=1S/C13H19N3O3/c1-8-11(14-7-15-12(8)19-2)16-10-5-3-9(4-6-10)13(17)18/h7,9-10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16)
InChIKeyWPWJJLQMXVHUBG-UHFFFAOYSA-N
XLogP1.85
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 66331927) is 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is COc1ncnc(NC2CCC(C(=O)O)CC2)c1C.
What is the InChIKey of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is WPWJJLQMXVHUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-11(14-7-15-12(8)19-2)16-10-5-3-9(4-6-10)13(17)18/h7,9-10H,3-6H2,1-2H3,(H,17,18)(H,14,15,16).
What are the key properties of 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66331927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).