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

C25H28N2O2 — CID 66550726

IUPAC3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1
InChIInChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyKKAWLDJLZJOYAH-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.41
Rot. Bonds4

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

3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (PubChem CID 66550726) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
PubChem CID66550726
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione
SMILESCc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1
InChIInChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyKKAWLDJLZJOYAH-UHFFFAOYSA-N
XLogP4.41
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione (CID 66550726) is 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is Cc1cccc(Cc2c(C3CCC(c4ccccc4)CC3)[nH]c(=O)n(C)c2=O)c1.
What is the InChIKey of 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
The InChIKey is KKAWLDJLZJOYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-17-7-6-8-18(15-17)16-22-23(26-25(29)27(2)24(22)28)21-13-11-20(12-14-21)19-9-4-3-5-10-19/h3-10,15,20-21H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione?
3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione has a molecular weight of 388.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-methylphenyl)methyl]-6-(4-phenylcyclohexyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66550726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).