1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid

C11H15N3O3 — CID 83870231

IUPAC1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCCCC2)[nH]c(=O)n1
InChIInChI=1S/C11H15N3O3/c12-8-6-7(13-10(17)14-8)11(9(15)16)4-2-1-3-5-11/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyYHBAWDBDXBTDPI-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.64
Rot. Bonds2

About 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid

1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid (PubChem CID 83870231) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid
PubChem CID83870231
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid
SMILESNc1cc(C2(C(=O)O)CCCCC2)[nH]c(=O)n1
InChIInChI=1S/C11H15N3O3/c12-8-6-7(13-10(17)14-8)11(9(15)16)4-2-1-3-5-11/h6H,1-5H2,(H,15,16)(H3,12,13,14,17)
InChIKeyYHBAWDBDXBTDPI-UHFFFAOYSA-N
XLogP0.64
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid (CID 83870231) is 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid is Nc1cc(C2(C(=O)O)CCCCC2)[nH]c(=O)n1.
What is the InChIKey of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YHBAWDBDXBTDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c12-8-6-7(13-10(17)14-8)11(9(15)16)4-2-1-3-5-11/h6H,1-5H2,(H,15,16)(H3,12,13,14,17).
What are the key properties of 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid?
1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-oxo-1H-pyrimidin-6-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 83870231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).