1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione

C20H20N2O2 — CID 11975773

IUPAC1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-15-16(2)21(13-17-9-5-3-6-10-17)20(24)22(19(15)23)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyIXIKQWDDFPBBKV-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.72
Rot. Bonds4

About 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione

1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione (PubChem CID 11975773) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
PubChem CID11975773
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O
InChIInChI=1S/C20H20N2O2/c1-15-16(2)21(13-17-9-5-3-6-10-17)20(24)22(19(15)23)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3
InChIKeyIXIKQWDDFPBBKV-UHFFFAOYSA-N
XLogP2.72
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethylpyrimidine-2,4-dione
CID 67596550
1,3,6-tribenzyl-5-bromopyrimidine-2,4-dione
CID 141136324
3-benzyl-6-chloro-2,5-dimethylpyrimidin-4-one
CID 143373161
1-benzyl-3,5-bis(hydroxymethyl)-1,3,5-triazinane-2,4,6-trione
CID 15495786
1-benzyl-4-hydroxy-3-methoxy-5,6-dimethylpyridin-2-one
CID 54710992
1,3-dibenzyl-6-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39334592
1,3-dibenzyl-6-methyl-1,3,5-triazine-2,4-dione
CID 118357157
1,3-dibenzyl-5-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidine-2,4-dione
CID 160895191
1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
1-benzyl-3,6-dimethyl-2-oxopyridine-4-carboxylic acid
CID 59067461
1,3-dibenzylphenanthro[9,10-d]imidazol-2-one
CID 11509882
3-benzyl-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785336

Frequently Asked Questions

What is the IUPAC name of 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione (CID 11975773) is 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione is Cc1c(C)n(Cc2ccccc2)c(=O)n(Cc2ccccc2)c1=O.
What is the InChIKey of 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione?
The InChIKey is IXIKQWDDFPBBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-16(2)21(13-17-9-5-3-6-10-17)20(24)22(19(15)23)14-18-11-7-4-8-12-18/h3-12H,13-14H2,1-2H3.
What are the key properties of 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione?
1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione has a molecular weight of 320.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibenzyl-5,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 11975773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).