2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H14N2O3 — CID 62020373

IUPAC2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c14-10-8(11(15)16)6-12-9(13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyKRTPMMPSWNLACG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.52
Rot. Bonds2

About 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid

2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 62020373) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID62020373
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H14N2O3/c14-10-8(11(15)16)6-12-9(13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H,12,13,14)
InChIKeyKRTPMMPSWNLACG-UHFFFAOYSA-N
XLogP1.52
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 62020373) is 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is KRTPMMPSWNLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-8(11(15)16)6-12-9(13-10)7-4-2-1-3-5-7/h6-7H,1-5H2,(H,15,16)(H,12,13,14).
What are the key properties of 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 62020373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).