[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone

C19H12Br2N4O — CID 73294487

IUPAC[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESNc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3cc(Br)cc(Br)c3)c12
InChIInChI=1S/C19H12Br2N4O/c20-12-6-11(7-13(21)8-12)14-15-18(22)23-9-24-19(15)25-16(14)17(26)10-4-2-1-3-5-10/h1-9H,(H3,22,23,24,25)
InChIKeyRNNXEKARKPDMNA-UHFFFAOYSA-N
MW472.14 g/mol
LogP4.96
Rot. Bonds3

About [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone

[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone (PubChem CID 73294487) has the molecular formula C19H12Br2N4O and a molecular weight of 472.14 g/mol. Its IUPAC name is [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone
PubChem CID73294487
Molecular FormulaC19H12Br2N4O
Molecular Weight472.14 g/mol
Exact Mass469.94
IUPAC Name[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone
SMILESNc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3cc(Br)cc(Br)c3)c12
InChIInChI=1S/C19H12Br2N4O/c20-12-6-11(7-13(21)8-12)14-15-18(22)23-9-24-19(15)25-16(14)17(26)10-4-2-1-3-5-10/h1-9H,(H3,22,23,24,25)
InChIKeyRNNXEKARKPDMNA-UHFFFAOYSA-N
XLogP4.96
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.14
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone with MolForge

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Related Compounds

1-[2-amino-5-benzoyl-4-(4-bromophenyl)-1H-pyrrol-3-yl]-2,2-dimethylpropan-1-one
CID 53299919
[5-amino-4-(benzenesulfonyl)-3-(4-bromophenyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 52912318
4-amino-9H-pyrimido[4,5-b]indole-7-carboxylic acid
CID 175364145
[5-amino-3-(3-bromophenyl)-4-(2-methyl-1H-indole-3-carbonyl)-1H-pyrrol-2-yl]-phenylmethanone
CID 70698470
N-[3-[4-(6-amino-7H-purin-8-yl)benzoyl]phenyl]benzamide
CID 69495007
[3-(4-bromophenyl)-4-phenyl-1H-pyrazol-5-yl]-phenylmethanone
CID 72944927
6-benzoyl-2-heptadecyl-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 137243514
6-chloro-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 151327093
[2-amino-5-benzoyl-4-(3,4-dimethoxyphenyl)-1H-pyrrol-3-yl]-phenylmethanone
CID 53301720
2-benzoyl-3-phenyl-1H-quinolin-4-one
CID 132534400
N'-(5,6-diaminopyrimidin-4-yl)benzohydrazide
CID 10466983
4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 15331766

Frequently Asked Questions

What is the IUPAC name of [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The IUPAC name of [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone (CID 73294487) is [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone.
What is the SMILES notation for [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The canonical SMILES for [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone is Nc1ncnc2[nH]c(C(=O)c3ccccc3)c(-c3cc(Br)cc(Br)c3)c12.
What is the InChIKey of [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone?
The InChIKey is RNNXEKARKPDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Br2N4O/c20-12-6-11(7-13(21)8-12)14-15-18(22)23-9-24-19(15)25-16(14)17(26)10-4-2-1-3-5-10/h1-9H,(H3,22,23,24,25).
What are the key properties of [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone?
[4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone has a molecular weight of 472.14 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-5-(3,5-dibromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-phenylmethanone is sourced from PubChem (CID 73294487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).