2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

C20H18N4O2 — CID 141307903

IUPAC2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c(C)cc(-c2ncc3c(Oc4cccnc4)c[nH]c3n2)cc1C
InChIInChI=1S/C20H18N4O2/c1-12-7-14(8-13(2)18(12)25-3)19-22-10-16-17(11-23-20(16)24-19)26-15-5-4-6-21-9-15/h4-11H,1-3H3,(H,22,23,24)
InChIKeyAECJYVJVEMBNCM-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine

2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141307903) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141307903
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine
SMILESCOc1c(C)cc(-c2ncc3c(Oc4cccnc4)c[nH]c3n2)cc1C
InChIInChI=1S/C20H18N4O2/c1-12-7-14(8-13(2)18(12)25-3)19-22-10-16-17(11-23-20(16)24-19)26-15-5-4-6-21-9-15/h4-11H,1-3H3,(H,22,23,24)
InChIKeyAECJYVJVEMBNCM-UHFFFAOYSA-N
XLogP4.44
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine (CID 141307903) is 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is COc1c(C)cc(-c2ncc3c(Oc4cccnc4)c[nH]c3n2)cc1C.
What is the InChIKey of 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AECJYVJVEMBNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-7-14(8-13(2)18(12)25-3)19-22-10-16-17(11-23-20(16)24-19)26-15-5-4-6-21-9-15/h4-11H,1-3H3,(H,22,23,24).
What are the key properties of 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine?
2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 346.39 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3,5-dimethylphenyl)-5-pyridin-3-yloxy-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141307903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).