2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one

C23H21BrN4O — CID 143911431

IUPAC2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCc3cc(Br)ccc32)c2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C23H21BrN4O/c1-23(2)18-13-25-22(26-16-6-4-3-5-7-16)27-20(18)28(21(23)29)19-11-8-14-12-15(24)9-10-17(14)19/h3-7,9-10,12-13,19H,8,11H2,1-2H3,(H,25,26,27)
InChIKeySAZHZYMXVKAFSJ-UHFFFAOYSA-N
MW449.35 g/mol
LogP5.29
Rot. Bonds3

About 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one

2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 143911431) has the molecular formula C23H21BrN4O and a molecular weight of 449.35 g/mol. Its IUPAC name is 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one
PubChem CID143911431
Molecular FormulaC23H21BrN4O
Molecular Weight449.35 g/mol
Exact Mass448.09
IUPAC Name2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1(C)C(=O)N(C2CCc3cc(Br)ccc32)c2nc(Nc3ccccc3)ncc21
InChIInChI=1S/C23H21BrN4O/c1-23(2)18-13-25-22(26-16-6-4-3-5-7-16)27-20(18)28(21(23)29)19-11-8-14-12-15(24)9-10-17(14)19/h3-7,9-10,12-13,19H,8,11H2,1-2H3,(H,25,26,27)
InChIKeySAZHZYMXVKAFSJ-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.35
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

7-(2,3-dihydro-1H-inden-1-yl)-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
CID 44548056
7-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidin-6-one
CID 172875161
2-amino-3-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-diphenylimidazol-4-one
CID 59388807
2-anilino-5,5-dimethyl-7-(1-methylpyrazol-4-yl)pyrrolo[2,3-d]pyrimidin-6-one
CID 134131474
7-cyclopentyl-5,5-dimethyl-2-(4-piperazin-1-ylanilino)pyrrolo[2,3-d]pyrimidin-6-one
CID 58015854
1-(2,3-dihydro-1H-inden-1-yl)-N-phenylpyrazolo[3,4-d]pyrimidin-6-amine
CID 141212767
2-anilino-5,5,7-trimethylpyrimido[5,4-d][1]benzazepin-6-one;iodomethane
CID 123863864
2-anilino-5,5,7-trimethylpyrimido[5,4-d][1]benzazepin-6-one;but-2-yne
CID 123859757
2-anilino-8-ethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 18375160
6-methyl-N-phenyl-5,6,7,8-tetrahydroquinazolin-2-amine
CID 51371057
5-methyl-4-N-(3-methyl-2,3-dihydro-1H-inden-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 59777611
N-[3-[[4-(6-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,5-triazin-2-yl]amino]phenyl]cyclopropanecarboxamide
CID 45138398

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one (CID 143911431) is 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one is CC1(C)C(=O)N(C2CCc3cc(Br)ccc32)c2nc(Nc3ccccc3)ncc21.
What is the InChIKey of 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is SAZHZYMXVKAFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O/c1-23(2)18-13-25-22(26-16-6-4-3-5-7-16)27-20(18)28(21(23)29)19-11-8-14-12-15(24)9-10-17(14)19/h3-7,9-10,12-13,19H,8,11H2,1-2H3,(H,25,26,27).
What are the key properties of 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one?
2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 449.35 g/mol, XLogP of 5.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(5-bromo-2,3-dihydro-1H-inden-1-yl)-5,5-dimethylpyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 143911431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).