1,6-dibenzyl-5-bromopyrimidine-2,4-dione

C18H15BrN2O2 — CID 71724756

IUPAC1,6-dibenzyl-5-bromopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(Cc2ccccc2)c1Br
InChIInChI=1S/C18H15BrN2O2/c19-16-15(11-13-7-3-1-4-8-13)21(18(23)20-17(16)22)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,22,23)
InChIKeyDZSMOVQJCZUIGF-UHFFFAOYSA-N
MW371.23 g/mol
LogP2.94
Rot. Bonds4

About 1,6-dibenzyl-5-bromopyrimidine-2,4-dione

1,6-dibenzyl-5-bromopyrimidine-2,4-dione (PubChem CID 71724756) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 1,6-dibenzyl-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name1,6-dibenzyl-5-bromopyrimidine-2,4-dione
PubChem CID71724756
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name1,6-dibenzyl-5-bromopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccccc2)c(Cc2ccccc2)c1Br
InChIInChI=1S/C18H15BrN2O2/c19-16-15(11-13-7-3-1-4-8-13)21(18(23)20-17(16)22)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,22,23)
InChIKeyDZSMOVQJCZUIGF-UHFFFAOYSA-N
XLogP2.94
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,6-tribenzyl-5-bromopyrimidine-2,4-dione
CID 141136324
5-bromo-6-[(3,5-dimethylphenyl)methyl]-1-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 56964462
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
CID 726225
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
3-benzyl-8-methyl-7H-purine-2,6-dione
CID 69118502
6-amino-1-benzyl-5-(benzylamino)pyrimidine-2,4-dione
CID 2344558
3-benzyl-6-propyl-1H-pyrimidine-2,4-dione
CID 22075417
4-benzyl-1,2,4-thiadiazolidine-3,5-dione
CID 22507205
1,2,5-tribenzylpyrrole
CID 15072584
1-[(4-chlorophenyl)methyl]quinazoline-2,4-dione
CID 19744058

Frequently Asked Questions

What is the IUPAC name of 1,6-dibenzyl-5-bromopyrimidine-2,4-dione?
The IUPAC name of 1,6-dibenzyl-5-bromopyrimidine-2,4-dione (CID 71724756) is 1,6-dibenzyl-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 1,6-dibenzyl-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 1,6-dibenzyl-5-bromopyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccccc2)c(Cc2ccccc2)c1Br.
What is the InChIKey of 1,6-dibenzyl-5-bromopyrimidine-2,4-dione?
The InChIKey is DZSMOVQJCZUIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-16-15(11-13-7-3-1-4-8-13)21(18(23)20-17(16)22)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,22,23).
What are the key properties of 1,6-dibenzyl-5-bromopyrimidine-2,4-dione?
1,6-dibenzyl-5-bromopyrimidine-2,4-dione has a molecular weight of 371.23 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dibenzyl-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 71724756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).