5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

C23H23FN2O2 — CID 90208822

IUPAC5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C23H23FN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)
InChIKeyOLQHZNSOKNOXAR-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.23
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 90208822) has the molecular formula C23H23FN2O2 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID90208822
Molecular FormulaC23H23FN2O2
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2F)c(=O)[nH]1
InChIInChI=1S/C23H23FN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28)
InChIKeyOLQHZNSOKNOXAR-UHFFFAOYSA-N
XLogP4.23
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 90208822) is 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2F)c(=O)[nH]1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is OLQHZNSOKNOXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2/c24-20-9-5-4-8-18(20)14-19-21(25-23(28)26-22(19)27)17-12-10-16(11-13-17)15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H2,25,26,27,28).
What are the key properties of 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 378.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90208822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).