3-cyclohexyl-1H-pyrimidine-2,4-dione

C10H14N2O2 — CID 69480712

IUPAC3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14)
InChIKeyQELBEYOWBZYAHB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.04
Rot. Bonds1

About 3-cyclohexyl-1H-pyrimidine-2,4-dione

3-cyclohexyl-1H-pyrimidine-2,4-dione (PubChem CID 69480712) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-cyclohexyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-cyclohexyl-1H-pyrimidine-2,4-dione
PubChem CID69480712
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-cyclohexyl-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1C1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14)
InChIKeyQELBEYOWBZYAHB-UHFFFAOYSA-N
XLogP1.04
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-cyclohexyl-1H-pyrimidine-2,4-dione (CID 69480712) is 3-cyclohexyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-cyclohexyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-cyclohexyl-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1H-pyrimidine-2,4-dione?
The InChIKey is QELBEYOWBZYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-7-11-10(14)12(9)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,11,14).
What are the key properties of 3-cyclohexyl-1H-pyrimidine-2,4-dione?
3-cyclohexyl-1H-pyrimidine-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 69480712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).