4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid

C11H16N2O3 — CID 66677121

IUPAC4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C=CCNC2=O)CC1
InChIInChI=1S/C11H16N2O3/c14-10(15)8-2-4-9(5-3-8)13-7-1-6-12-11(13)16/h1,7-9H,2-6H2,(H,12,16)(H,14,15)
InChIKeyIHUQOVQGPXPZQP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.17
Rot. Bonds2

About 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid

4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid (PubChem CID 66677121) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid
PubChem CID66677121
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2C=CCNC2=O)CC1
InChIInChI=1S/C11H16N2O3/c14-10(15)8-2-4-9(5-3-8)13-7-1-6-12-11(13)16/h1,7-9H,2-6H2,(H,12,16)(H,14,15)
InChIKeyIHUQOVQGPXPZQP-UHFFFAOYSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid (CID 66677121) is 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(N2C=CCNC2=O)CC1.
What is the InChIKey of 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid?
The InChIKey is IHUQOVQGPXPZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10(15)8-2-4-9(5-3-8)13-7-1-6-12-11(13)16/h1,7-9H,2-6H2,(H,12,16)(H,14,15).
What are the key properties of 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid?
4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,6-dihydropyrimidin-3-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66677121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).