5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione

C25H28N2O2 — CID 90211104

IUPAC5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1C
InChIInChI=1S/C25H28N2O2/c1-16-7-6-10-21(17(16)2)15-22-23(26-25(29)27-24(22)28)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-10,19-20H,11-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyJNYPBDPRGMLYLT-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.71
Rot. Bonds4

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

5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 90211104) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID90211104
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1C
InChIInChI=1S/C25H28N2O2/c1-16-7-6-10-21(17(16)2)15-22-23(26-25(29)27-24(22)28)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-10,19-20H,11-15H2,1-2H3,(H2,26,27,28,29)
InChIKeyJNYPBDPRGMLYLT-UHFFFAOYSA-N
XLogP4.71
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 90211104) is 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is Cc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)[nH]c2=O)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JNYPBDPRGMLYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-16-7-6-10-21(17(16)2)15-22-23(26-25(29)27-24(22)28)20-13-11-19(12-14-20)18-8-4-3-5-9-18/h3-10,19-20H,11-15H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 388.51 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90211104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).