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

C20H18N4O2 — CID 54548436

IUPAC7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyZIEZCNLCIFZGMQ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.69
Rot. Bonds4

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

7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54548436) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54548436
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1
InChIInChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23)
InChIKeyZIEZCNLCIFZGMQ-UHFFFAOYSA-N
XLogP3.69
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 54548436) is 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is COc1cc(OC)cc(-n2cc(-c3ccccc3)c3c(N)ncnc32)c1.
What is the InChIKey of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZIEZCNLCIFZGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-25-15-8-14(9-16(10-15)26-2)24-11-17(13-6-4-3-5-7-13)18-19(21)22-12-23-20(18)24/h3-12H,1-2H3,(H2,21,22,23).
What are the key properties of 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 346.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dimethoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54548436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).