7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

C22H20N4O2 — CID 22736332

IUPAC7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCOC1
InChIInChI=1S/C22H20N4O2/c23-21-20-19(12-26(16-10-11-27-13-16)22(20)25-14-24-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,12,14,16H,10-11,13H2,(H2,23,24,25)
InChIKeyGONCOGHZCWCVGP-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.43
Rot. Bonds4

About 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine

7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22736332) has the molecular formula C22H20N4O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22736332
Molecular FormulaC22H20N4O2
Molecular Weight372.43 g/mol
Exact Mass372.16
IUPAC Name7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCOC1
InChIInChI=1S/C22H20N4O2/c23-21-20-19(12-26(16-10-11-27-13-16)22(20)25-14-24-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,12,14,16H,10-11,13H2,(H2,23,24,25)
InChIKeyGONCOGHZCWCVGP-UHFFFAOYSA-N
XLogP4.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 22736332) is 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCOC1.
What is the InChIKey of 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GONCOGHZCWCVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2/c23-21-20-19(12-26(16-10-11-27-13-16)22(20)25-14-24-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,12,14,16H,10-11,13H2,(H2,23,24,25).
What are the key properties of 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 372.43 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxolan-3-yl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22736332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).