6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione

C12H12BrN3O2 — CID 17333776

IUPAC6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1CCc1ccccc1
InChIInChI=1S/C12H12BrN3O2/c13-9-10(14)16(12(18)15-11(9)17)7-6-8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H,15,17,18)
InChIKeyYJCKOYOVBGUVIL-UHFFFAOYSA-N
MW310.15 g/mol
LogP1.12
Rot. Bonds3

About 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione

6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione (PubChem CID 17333776) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
PubChem CID17333776
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
SMILESNc1c(Br)c(=O)[nH]c(=O)n1CCc1ccccc1
InChIInChI=1S/C12H12BrN3O2/c13-9-10(14)16(12(18)15-11(9)17)7-6-8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H,15,17,18)
InChIKeyYJCKOYOVBGUVIL-UHFFFAOYSA-N
XLogP1.12
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 2389933
1,6-dibenzyl-5-bromopyrimidine-2,4-dione
CID 71724756
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2432599
6-amino-3-(2-phenylethyl)-1H-benzimidazol-2-one
CID 110491478
3-bromo-1-(2-phenylethyl)pyridin-2-one
CID 114761280
3-amino-5-bromo-1-(2-phenylethyl)pyridin-4-one
CID 113359293
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
4-amino-3-(2-phenylethyl)quinazolin-2-one
CID 122714244
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
6-amino-1-benzyl-5-(methylamino)pyrimidine-2,4-dione
CID 726225
2-(3-phenylpropyl)-1,2,4-triazinane-3,5,6-trione
CID 73295702
3-(2-phenylethyl)-1H-pteridine-2,4-dione
CID 27558241

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione (CID 17333776) is 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione is Nc1c(Br)c(=O)[nH]c(=O)n1CCc1ccccc1.
What is the InChIKey of 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is YJCKOYOVBGUVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c13-9-10(14)16(12(18)15-11(9)17)7-6-8-4-2-1-3-5-8/h1-5H,6-7,14H2,(H,15,17,18).
What are the key properties of 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione?
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 310.15 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 17333776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).