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

C20H19N5O — CID 22736238

IUPAC7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H19N5O/c21-10-11-25-12-17(18-19(22)23-13-24-20(18)25)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11,21H2,(H2,22,23,24)
InChIKeySEEYJJMTIMDRNQ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.43
Rot. Bonds5

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

7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 22736238) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID22736238
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21
InChIInChI=1S/C20H19N5O/c21-10-11-25-12-17(18-19(22)23-13-24-20(18)25)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11,21H2,(H2,22,23,24)
InChIKeySEEYJJMTIMDRNQ-UHFFFAOYSA-N
XLogP3.43
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 22736238) is 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is NCCn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21.
What is the InChIKey of 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SEEYJJMTIMDRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c21-10-11-25-12-17(18-19(22)23-13-24-20(18)25)14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12-13H,10-11,21H2,(H2,22,23,24).
What are the key properties of 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethyl)-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 22736238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).