1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione

C25H22N2O2 — CID 53375533

IUPAC1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c1-19-10-8-9-15-22(19)23-16-24(28)27(18-21-13-6-3-7-14-21)25(29)26(23)17-20-11-4-2-5-12-20/h2-16H,17-18H2,1H3
InChIKeyLRAJBBOIEGTTRO-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.08
Rot. Bonds5

About 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione

1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione (PubChem CID 53375533) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
PubChem CID53375533
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccccc1-c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c1-19-10-8-9-15-22(19)23-16-24(28)27(18-21-13-6-3-7-14-21)25(29)26(23)17-20-11-4-2-5-12-20/h2-16H,17-18H2,1H3
InChIKeyLRAJBBOIEGTTRO-UHFFFAOYSA-N
XLogP4.08
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-3-benzyl-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 2823066
6-acetyl-1,3-dibenzylpyrimidine-2,4-dione
CID 131848742
N'-(1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)-N,N-dimethylmethanimidamide
CID 118658476
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
CID 11975773
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-benzyl-3-(2-methylphenyl)-1,8-naphthyridin-2-one
CID 139602401
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
4-benzyl-3-(2-methylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole
CID 4985670
3-benzyl-6-hydroxy-2-methylpyrimidin-4-one
CID 135737348
ethyl 3-benzyl-2-oxo-4-phenylimidazole-1-carboxylate
CID 10426272
1-benzyl-2-hydroxy-4-methyl-6-oxopyridine-3-carboxamide
CID 3620214
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione (CID 53375533) is 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione is Cc1ccccc1-c1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1.
What is the InChIKey of 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is LRAJBBOIEGTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-19-10-8-9-15-22(19)23-16-24(28)27(18-21-13-6-3-7-14-21)25(29)26(23)17-20-11-4-2-5-12-20/h2-16H,17-18H2,1H3.
What are the key properties of 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione?
1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-6-(2-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 53375533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).