4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

C11H15N3O3 — CID 136958485

IUPAC4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(12-6-13-10)14-8-3-1-7(2-4-8)11(16)17/h5-8H,1-4H2,(H,16,17)(H2,12,13,14,15)
InChIKeyAKWBJHZAWQFJSV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.83
Rot. Bonds3

About 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136958485) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136958485
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C11H15N3O3/c15-10-5-9(12-6-13-10)14-8-3-1-7(2-4-8)11(16)17/h5-8H,1-4H2,(H,16,17)(H2,12,13,14,15)
InChIKeyAKWBJHZAWQFJSV-UHFFFAOYSA-N
XLogP0.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136958485) is 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is AKWBJHZAWQFJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-5-9(12-6-13-10)14-8-3-1-7(2-4-8)11(16)17/h5-8H,1-4H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136958485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).