1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione

C12H11BrN2O2 — CID 5276665

IUPAC1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyPCEMNJLLHJFLAF-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.66
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione

1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 5276665) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
PubChem CID5276665
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyPCEMNJLLHJFLAF-UHFFFAOYSA-N
XLogP1.66
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-{[2-(4-Bromophenyl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 133081959
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-Benzyluracil
CID 237962
5-acetyl-1-benzyl-2,4(1H,3H)-pyrimidinedione
CID 3334243
(E)-3-[1-[(4-bromophenyl)methyl]-2-oxo-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 49846623
Stk169393
CID 319814
5-methyl-1-(2-methylbenzyl)-2,4(1H,3H)-pyrimidinedione
CID 736451
1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 2823137
1-Benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 5276659
6-Amino-1-benzyl-5-bromo-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 822149
N-[(4-bromophenyl)-(prop-2-enoylamino)methyl]prop-2-enamide
CID 2526911
Stk640482
CID 256117

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione (CID 5276665) is 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(Cc2ccc(Br)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is PCEMNJLLHJFLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-15(12(17)14-11(8)16)7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16,17).
What are the key properties of 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione?
1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 295.14 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 5276665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).