5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

C22H21N5O — CID 10138376

IUPAC5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCNC1
InChIInChI=1S/C22H21N5O/c23-21-20-19(13-27(16-10-11-24-12-16)22(20)26-14-25-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,13-14,16,24H,10-12H2,(H2,23,25,26)
InChIKeyHREICXYSTRPUKL-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.01
Rot. Bonds4

About 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10138376) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10138376
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCNC1
InChIInChI=1S/C22H21N5O/c23-21-20-19(13-27(16-10-11-24-12-16)22(20)26-14-25-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,13-14,16,24H,10-12H2,(H2,23,25,26)
InChIKeyHREICXYSTRPUKL-UHFFFAOYSA-N
XLogP4.01
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 10138376) is 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCNC1.
What is the InChIKey of 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HREICXYSTRPUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c23-21-20-19(13-27(16-10-11-24-12-16)22(20)26-14-25-21)15-6-8-18(9-7-15)28-17-4-2-1-3-5-17/h1-9,13-14,16,24H,10-12H2,(H2,23,25,26).
What are the key properties of 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 371.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10138376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).