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

C11H15N3O3 — CID 136958610

IUPAC1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C11H15N3O3/c15-9-6-8(12-7-13-9)14-11(10(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H2,12,13,14,15)
InChIKeyMPXXWWPTYZYMTI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.97
Rot. Bonds3

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

1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 136958610) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID136958610
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2cc(=O)[nH]cn2)CCCCC1
InChIInChI=1S/C11H15N3O3/c15-9-6-8(12-7-13-9)14-11(10(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H2,12,13,14,15)
InChIKeyMPXXWWPTYZYMTI-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid (CID 136958610) is 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2cc(=O)[nH]cn2)CCCCC1.
What is the InChIKey of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is MPXXWWPTYZYMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-9-6-8(12-7-13-9)14-11(10(16)17)4-2-1-3-5-11/h6-7H,1-5H2,(H,16,17)(H2,12,13,14,15).
What are the key properties of 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid?
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 136958610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).