4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

C13H9F2N3O — CID 90645315

IUPAC4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
InChIInChI=1S/C13H9F2N3O/c1-7-5-16-12-11(7)13(18-6-17-12)19-10-3-2-8(14)4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZAGOOYBFBXAWFI-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.34
Rot. Bonds2

About 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine

4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 90645315) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID90645315
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12
InChIInChI=1S/C13H9F2N3O/c1-7-5-16-12-11(7)13(18-6-17-12)19-10-3-2-8(14)4-9(10)15/h2-6H,1H3,(H,16,17,18)
InChIKeyZAGOOYBFBXAWFI-UHFFFAOYSA-N
XLogP3.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 90645315) is 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is Cc1c[nH]c2ncnc(Oc3ccc(F)cc3F)c12.
What is the InChIKey of 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is ZAGOOYBFBXAWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c1-7-5-16-12-11(7)13(18-6-17-12)19-10-3-2-8(14)4-9(10)15/h2-6H,1H3,(H,16,17,18).
What are the key properties of 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 261.23 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 90645315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).