5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine

C16H16BrN3 — CID 84608815

IUPAC5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1nc(-c2ccccc2)nc2c1c(Br)cn2C
InChIInChI=1S/C16H16BrN3/c1-10(2)14-13-12(17)9-20(3)16(13)19-15(18-14)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFYNANVRDCHAMCH-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.52
Rot. Bonds2

About 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine

5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine (PubChem CID 84608815) has the molecular formula C16H16BrN3 and a molecular weight of 330.23 g/mol. Its IUPAC name is 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine
PubChem CID84608815
Molecular FormulaC16H16BrN3
Molecular Weight330.23 g/mol
Exact Mass329.05
IUPAC Name5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine
SMILESCC(C)c1nc(-c2ccccc2)nc2c1c(Br)cn2C
InChIInChI=1S/C16H16BrN3/c1-10(2)14-13-12(17)9-20(3)16(13)19-15(18-14)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKeyFYNANVRDCHAMCH-UHFFFAOYSA-N
XLogP4.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine (CID 84608815) is 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine is CC(C)c1nc(-c2ccccc2)nc2c1c(Br)cn2C.
What is the InChIKey of 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine?
The InChIKey is FYNANVRDCHAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3/c1-10(2)14-13-12(17)9-20(3)16(13)19-15(18-14)11-7-5-4-6-8-11/h4-10H,1-3H3.
What are the key properties of 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine?
5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine has a molecular weight of 330.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-methyl-2-phenyl-4-propan-2-ylpyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 84608815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).