7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C21H21N5O — CID 70206153

IUPAC7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25)
InChIKeyOLVPIIAFRKOZKD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.40
Rot. Bonds6

About 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 70206153) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID70206153
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21
InChIInChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25)
InChIKeyOLVPIIAFRKOZKD-UHFFFAOYSA-N
XLogP3.40
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 70206153) is 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is NCCCOc1ccccc1-n1cc(-c2ccccc2)c2c(N)ncnc21.
What is the InChIKey of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OLVPIIAFRKOZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-11-6-12-27-18-10-5-4-9-17(18)26-13-16(15-7-2-1-3-8-15)19-20(23)24-14-25-21(19)26/h1-5,7-10,13-14H,6,11-12,22H2,(H2,23,24,25).
What are the key properties of 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 359.43 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-aminopropoxy)phenyl]-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70206153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).