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

C8H12BrN3O2 — CID 2432599

IUPAC6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H12BrN3O2/c1-4(2)3-12-6(10)5(9)7(13)11-8(12)14/h4H,3,10H2,1-2H3,(H,11,13,14)
InChIKeyBLGXNRDFTXINIM-UHFFFAOYSA-N
MW262.11 g/mol
LogP0.54
Rot. Bonds2

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

6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 2432599) has the molecular formula C8H12BrN3O2 and a molecular weight of 262.11 g/mol. Its IUPAC name is 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID2432599
Molecular FormulaC8H12BrN3O2
Molecular Weight262.11 g/mol
Exact Mass261.01
IUPAC Name6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(Br)c(=O)[nH]c1=O
InChIInChI=1S/C8H12BrN3O2/c1-4(2)3-12-6(10)5(9)7(13)11-8(12)14/h4H,3,10H2,1-2H3,(H,11,13,14)
InChIKeyBLGXNRDFTXINIM-UHFFFAOYSA-N
XLogP0.54
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 50.54
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
6-amino-1-(2-methylpropyl)-5-(pentan-3-ylamino)pyrimidine-2,4-dione
CID 60649265
6-amino-5-(3,3-dimethylbutan-2-ylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 104828680
6-amino-1-(2-methylpropyl)-5-(2,2,2-trifluoroethylamino)pyrimidine-2,4-dione
CID 54933303
6-amino-5-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61043333
6-amino-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368693
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
6-amino-5-bromo-1-(2-phenylethyl)pyrimidine-2,4-dione
CID 17333776
8-bromo-3-(2-methylpropyl)-7H-purine-2,6-dione
CID 82465354
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(5-bromothiophen-2-yl)-N-(2-methylpropyl)prop-2-enamide
CID 31287122
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
6-amino-1-(2-methylpropyl)-5-[[1-(trifluoromethyl)cyclopropyl]amino]pyrimidine-2,4-dione
CID 106215099

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 2432599) is 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(Br)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is BLGXNRDFTXINIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2/c1-4(2)3-12-6(10)5(9)7(13)11-8(12)14/h4H,3,10H2,1-2H3,(H,11,13,14).
What are the key properties of 6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-bromo-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 262.11 g/mol, XLogP of 0.54, 2 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-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2432599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).