6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione

C16H18N2O2 — CID 95473920

IUPAC6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyHBICGQPUYVWJBR-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.78
Rot. Bonds2

About 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione

6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 95473920) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID95473920
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20)
InChIKeyHBICGQPUYVWJBR-UHFFFAOYSA-N
XLogP2.78
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione (CID 95473920) is 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione is O=c1cc(-c2ccc(C3CCCCC3)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is HBICGQPUYVWJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-10-14(17-16(20)18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,17,18,19,20).
What are the key properties of 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione?
6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 270.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohexylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 95473920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).