4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

C23H22N4O2 — CID 165390844

IUPAC4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(COc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(26-21)24-16-25-23(20)27-10-12-28-13-11-27/h1-9,14,16H,10-13,15H2,(H,24,25,26)
InChIKeyVIXFLGXXXRVHGT-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.04
Rot. Bonds5

About 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine

4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (PubChem CID 165390844) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
PubChem CID165390844
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
SMILESc1ccc(COc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C23H22N4O2/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(26-21)24-16-25-23(20)27-10-12-28-13-11-27/h1-9,14,16H,10-13,15H2,(H,24,25,26)
InChIKeyVIXFLGXXXRVHGT-UHFFFAOYSA-N
XLogP4.04
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine (CID 165390844) is 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is c1ccc(COc2ccc(-c3cc4c(N5CCOCC5)ncnc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
The InChIKey is VIXFLGXXXRVHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-2-4-17(5-3-1)15-29-19-8-6-18(7-9-19)21-14-20-22(26-21)24-16-25-23(20)27-10-12-28-13-11-27/h1-9,14,16H,10-13,15H2,(H,24,25,26).
What are the key properties of 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine?
4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine has a molecular weight of 386.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 165390844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).