1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione

C12H11BrN2O2 — CID 764991

IUPAC1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C12H11BrN2O2/c1-8-10(13)11(16)14-12(17)15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyYYVDVWCUCNEVEN-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.66
Rot. Bonds2

About 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione

1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione (PubChem CID 764991) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione
PubChem CID764991
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione
SMILESCc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C12H11BrN2O2/c1-8-10(13)11(16)14-12(17)15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,16,17)
InChIKeyYYVDVWCUCNEVEN-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

Mavacamten
CID 117761397
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 937941
6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
5-(Benzylamino)pyrimidine-2,4(1h,3h)-dione
CID 273579
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-Phenyluracil
CID 83360
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
6-Amino-1-benzyl-5-methylaminouracil
CID 726225
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 2096792
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione (CID 764991) is 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione is Cc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione?
The InChIKey is YYVDVWCUCNEVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-10(13)11(16)14-12(17)15(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,14,16,17).
What are the key properties of 1-benzyl-5-bromo-6-methylpyrimidine-2,4-dione?
1-benzyl-5-bromo-6-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-benzyl-5-bromo-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 764991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).