2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C13H11BrN4O — CID 137300511

IUPAC2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O/c1-6-9(7-2-4-8(14)5-3-7)10-11(16-6)17-13(15)18-12(10)19/h2-5H,1H3,(H4,15,16,17,18,19)
InChIKeyCETZRSZTONYSFK-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.57
Rot. Bonds1

About 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 137300511) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID137300511
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1[nH]c2nc(N)[nH]c(=O)c2c1-c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN4O/c1-6-9(7-2-4-8(14)5-3-7)10-11(16-6)17-13(15)18-12(10)19/h2-5H,1H3,(H4,15,16,17,18,19)
InChIKeyCETZRSZTONYSFK-UHFFFAOYSA-N
XLogP2.57
TPSA87.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-6-methyl-5-(4-methylphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137275792
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(3-fluoro-4-methoxyphenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135512514
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135656204
2-amino-5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 57283672
2-amino-5-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;hydrochloride
CID 165438335
2-amino-6-methyl-5-pyridin-4-yl-3H-quinazolin-4-one;dihydrochloride
CID 162327470
2-amino-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 82055587
methyl 4-[2-(2-amino-6-methyl-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
CID 135405210
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
5-(4-bromophenyl)-6-methyl-2-pyridin-3-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889070
dimethyl 4-(4-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
CID 19232500
methyl 2-amino-5-(4-chlorophenyl)-6-oxo-1H-pyrimidine-4-carboxylate
CID 135499579

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 137300511) is 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is Cc1[nH]c2nc(N)[nH]c(=O)c2c1-c1ccc(Br)cc1.
What is the InChIKey of 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is CETZRSZTONYSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-6-9(7-2-4-8(14)5-3-7)10-11(16-6)17-13(15)18-12(10)19/h2-5H,1H3,(H4,15,16,17,18,19).
What are the key properties of 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 319.16 g/mol, XLogP of 2.57, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-bromophenyl)-6-methyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137300511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).