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

C19H16N4O — CID 15858662

IUPAC5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)c1
InChIInChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
InChIKeyJSPJGKUIWGWCRE-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.68
Rot. Bonds3

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

5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 15858662) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID15858662
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)c1
InChIInChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22)
InChIKeyJSPJGKUIWGWCRE-UHFFFAOYSA-N
XLogP3.68
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 15858662) is 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cccc(-c2cn(-c3ccccc3)c3ncnc(N)c23)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is JSPJGKUIWGWCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-24-15-9-5-6-13(10-15)16-11-23(14-7-3-2-4-8-14)19-17(16)18(20)21-12-22-19/h2-12H,1H3,(H2,20,21,22).
What are the key properties of 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 15858662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).