6-amino-1-benzyl-5-bromopyrimidine-2,4-dione

C11H10BrN3O2 — CID 822149

IUPAC6-amino-1-benzyl-5-bromopyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17)
InChIKeyMKHMQYHCJPMREC-UHFFFAOYSA-N
MW296.12 g/mol
LogP0.93
Rot. Bonds2

About 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione

6-amino-1-benzyl-5-bromopyrimidine-2,4-dione (PubChem CID 822149) has the molecular formula C11H10BrN3O2 and a molecular weight of 296.12 g/mol. Its IUPAC name is 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-benzyl-5-bromopyrimidine-2,4-dione
PubChem CID822149
Molecular FormulaC11H10BrN3O2
Molecular Weight296.12 g/mol
Exact Mass295.00
IUPAC Name6-amino-1-benzyl-5-bromopyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17)
InChIKeyMKHMQYHCJPMREC-UHFFFAOYSA-N
XLogP0.93
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Mavacamten
CID 117761397
3-benzyl-6-chloro-1H-pyrimidine-2,4-dione
CID 937941
1-benzyl-6-methylpyrimidine-2,4(1H,3H)-dione
CID 309331
6-amino-1-(2-phenylethyl)pyrimidine-2,4(1H,3H)-dione
CID 1409300
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
6-Chloro-3-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2143092
1-Benzyl-5-methyl-1H-pyrimidine-2,4-dione
CID 237953
6-Benzylamino-1H-pyrimidine-2,4-dione
CID 308654
N,N'-Benzylidenebisacetamide
CID 23346
1-Benzyluracil
CID 237962

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione (CID 822149) is 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione is Nc1c(Br)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione?
The InChIKey is MKHMQYHCJPMREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2/c12-8-9(13)15(11(17)14-10(8)16)6-7-4-2-1-3-5-7/h1-5H,6,13H2,(H,14,16,17).
What are the key properties of 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione?
6-amino-1-benzyl-5-bromopyrimidine-2,4-dione has a molecular weight of 296.12 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-benzyl-5-bromopyrimidine-2,4-dione is sourced from PubChem (CID 822149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).