5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C15H14BrN3O — CID 146674053

IUPAC5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(-c2ccc(Br)cc2)c2c(=O)[nH]cnc21
InChIInChI=1S/C15H14BrN3O/c1-9(2)19-7-12(10-3-5-11(16)6-4-10)13-14(19)17-8-18-15(13)20/h3-9H,1-2H3,(H,17,18,20)
InChIKeyJUVWCZKBFFDLBP-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.73
Rot. Bonds2

About 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 146674053) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID146674053
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCC(C)n1cc(-c2ccc(Br)cc2)c2c(=O)[nH]cnc21
InChIInChI=1S/C15H14BrN3O/c1-9(2)19-7-12(10-3-5-11(16)6-4-10)13-14(19)17-8-18-15(13)20/h3-9H,1-2H3,(H,17,18,20)
InChIKeyJUVWCZKBFFDLBP-UHFFFAOYSA-N
XLogP3.73
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
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N,N-dimethyl-4-[5-(4-methylphenyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]benzenesulfonamide
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CID 155247476
5-(4-bromophenyl)-1H-pyrimidin-6-one
CID 106517913
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CID 161063527
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CID 135419385
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CID 162724389
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CID 175852243
5,6-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 170991554
5-(3-methylphenyl)-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 158755059
3-bromo-1-[(2S)-butan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 146674053) is 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is CC(C)n1cc(-c2ccc(Br)cc2)c2c(=O)[nH]cnc21.
What is the InChIKey of 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is JUVWCZKBFFDLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c1-9(2)19-7-12(10-3-5-11(16)6-4-10)13-14(19)17-8-18-15(13)20/h3-9H,1-2H3,(H,17,18,20).
What are the key properties of 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 332.20 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 146674053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).