5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione

C14H10BrN5O2 — CID 632349

IUPAC5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione
SMILESCn1c(=O)[nH]c2c(=O)n3ccn(-c4ccc(Br)cc4)c3nc21
InChIInChI=1S/C14H10BrN5O2/c1-18-11-10(16-14(18)22)12(21)20-7-6-19(13(20)17-11)9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,22)
InChIKeyNWZBWSKIGYXIES-UHFFFAOYSA-N
MW360.17 g/mol
LogP1.43
Rot. Bonds1

About 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione

5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione (PubChem CID 632349) has the molecular formula C14H10BrN5O2 and a molecular weight of 360.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione
PubChem CID632349
Molecular FormulaC14H10BrN5O2
Molecular Weight360.17 g/mol
Exact Mass359.00
IUPAC Name5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione
SMILESCn1c(=O)[nH]c2c(=O)n3ccn(-c4ccc(Br)cc4)c3nc21
InChIInChI=1S/C14H10BrN5O2/c1-18-11-10(16-14(18)22)12(21)20-7-6-19(13(20)17-11)9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,22)
InChIKeyNWZBWSKIGYXIES-UHFFFAOYSA-N
XLogP1.43
TPSA77.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.17
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3E)-1-(3-bromophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 135525509
N-(4-Bromo-2-fluorophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]acetamide
CID 91904048
Uracil, 1-(p-bromophenyl)-5-(dimethylamino)-3-methyl-
CID 3041244
2-[3-(4-Bromophenyl)guanidino]-6-methyl-4-pyrimidinol
CID 135804021
N-(4-bromo-2-fluorophenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 17510598
3-[4-(4-Bromophenyl)-3-oxo-3,4-dihydropyrazin-2-YL]-1-phenylurea
CID 53118270
N-(4-Bromo-2-fluorophenyl)-2-[4,5-dimethyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 91904005
N-(4-Bromophenyl)-2-[4-methyl-2-(4-methylpiperidin-1-YL)-6-oxo-1,6-dihydropyrimidin-1-YL]acetamide
CID 91904053
2-(4-bromoanilino)-6-methyl-1H-pyrimidin-4-one
CID 135667197
N-(4-bromophenyl)-2-(4-methyl-6-oxo-2-pyrrolidin-1-ylpyrimidin-1(6H)-yl)acetamide
CID 49667241
N-(4-Bromophenyl)-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201689
N-(4-Bromophenyl)-2-[4-methyl-6-oxo-2-(4-phenylpiperazin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 91903956

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione?
The IUPAC name of 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione (CID 632349) is 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione.
What is the SMILES notation for 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione?
The canonical SMILES for 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione is Cn1c(=O)[nH]c2c(=O)n3ccn(-c4ccc(Br)cc4)c3nc21.
What is the InChIKey of 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione?
The InChIKey is NWZBWSKIGYXIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5O2/c1-18-11-10(16-14(18)22)12(21)20-7-6-19(13(20)17-11)9-4-2-8(15)3-5-9/h2-7H,1H3,(H,16,22).
What are the key properties of 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione?
5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione has a molecular weight of 360.17 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methyl-1H-imidazo[1,2-a]purine-2,9-dione is sourced from PubChem (CID 632349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).