5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

C24H26N2O2 — CID 66550096

IUPAC5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26N2O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28)
InChIKeyRZWVLFBRJYIAKV-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.11
Rot. Bonds4

About 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550096) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66550096
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O
InChIInChI=1S/C24H26N2O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28)
InChIKeyRZWVLFBRJYIAKV-UHFFFAOYSA-N
XLogP4.11
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66550096) is 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]c(C2CCC(c3ccccc3)CC2)c(Cc2ccccc2)c1=O.
What is the InChIKey of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is RZWVLFBRJYIAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-26-23(27)21(16-17-8-4-2-5-9-17)22(25-24(26)28)20-14-12-19(13-15-20)18-10-6-3-7-11-18/h2-11,19-20H,12-16H2,1H3,(H,25,28).
What are the key properties of 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 374.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-methyl-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).