7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C26H29N5O2 — CID 4257529

IUPAC7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C26H29N5O2/c1-32-22-10-8-21(9-11-22)31-18-23(20-6-3-2-4-7-20)24-25(28-19-29-26(24)31)27-12-5-13-30-14-16-33-17-15-30/h2-4,6-11,18-19H,5,12-17H2,1H3,(H,27,28,29)
InChIKeyTUUBGTDIDADIPM-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.23
Rot. Bonds8

About 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4257529) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4257529
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC Name7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN4CCOCC4)ncnc32)cc1
InChIInChI=1S/C26H29N5O2/c1-32-22-10-8-21(9-11-22)31-18-23(20-6-3-2-4-7-20)24-25(28-19-29-26(24)31)27-12-5-13-30-14-16-33-17-15-30/h2-4,6-11,18-19H,5,12-17H2,1H3,(H,27,28,29)
InChIKeyTUUBGTDIDADIPM-UHFFFAOYSA-N
XLogP4.23
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4257529) is 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN4CCOCC4)ncnc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is TUUBGTDIDADIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-32-22-10-8-21(9-11-22)31-18-23(20-6-3-2-4-7-20)24-25(28-19-29-26(24)31)27-12-5-13-30-14-16-33-17-15-30/h2-4,6-11,18-19H,5,12-17H2,1H3,(H,27,28,29).
What are the key properties of 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 443.55 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4257529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).