N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine

C22H20BrN5O — CID 4660509

IUPACN-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine
SMILESBrc1ccc(-n2cc(-c3ccccc3)c3c(NN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C22H20BrN5O/c23-17-6-8-18(9-7-17)28-14-19(16-4-2-1-3-5-16)20-21(24-15-25-22(20)28)26-27-10-12-29-13-11-27/h1-9,14-15H,10-13H2,(H,24,25,26)
InChIKeyYFXYTVMGSISNLG-UHFFFAOYSA-N
MW450.34 g/mol
LogP4.51
Rot. Bonds4

About N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine

N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine (PubChem CID 4660509) has the molecular formula C22H20BrN5O and a molecular weight of 450.34 g/mol. Its IUPAC name is N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine
PubChem CID4660509
Molecular FormulaC22H20BrN5O
Molecular Weight450.34 g/mol
Exact Mass449.09
IUPAC NameN-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine
SMILESBrc1ccc(-n2cc(-c3ccccc3)c3c(NN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C22H20BrN5O/c23-17-6-8-18(9-7-17)28-14-19(16-4-2-1-3-5-16)20-21(24-15-25-22(20)28)26-27-10-12-29-13-11-27/h1-9,14-15H,10-13H2,(H,24,25,26)
InChIKeyYFXYTVMGSISNLG-UHFFFAOYSA-N
XLogP4.51
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine?
The IUPAC name of N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine (CID 4660509) is N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine.
What is the SMILES notation for N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine?
The canonical SMILES for N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine is Brc1ccc(-n2cc(-c3ccccc3)c3c(NN4CCOCC4)ncnc32)cc1.
What is the InChIKey of N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine?
The InChIKey is YFXYTVMGSISNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrN5O/c23-17-6-8-18(9-7-17)28-14-19(16-4-2-1-3-5-16)20-21(24-15-25-22(20)28)26-27-10-12-29-13-11-27/h1-9,14-15H,10-13H2,(H,24,25,26).
What are the key properties of N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine?
N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine has a molecular weight of 450.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-bromophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]morpholin-4-amine is sourced from PubChem (CID 4660509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).