5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

C19H15ClFN5O2 — CID 126551073

IUPAC5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncc(C)c3)nc(Oc3cncc(F)c3)c2c1Cl
InChIInChI=1S/C19H15ClFN5O2/c1-3-14-16(20)15-17(24-14)25-19(28-12-4-10(2)6-22-8-12)26-18(15)27-13-5-11(21)7-23-9-13/h4-9H,3H2,1-2H3,(H,24,25,26)
InChIKeyGDKXUVUXGZXYQK-UHFFFAOYSA-N
MW399.81 g/mol
LogP5.00
Rot. Bonds5

About 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine

5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 126551073) has the molecular formula C19H15ClFN5O2 and a molecular weight of 399.81 g/mol. Its IUPAC name is 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID126551073
Molecular FormulaC19H15ClFN5O2
Molecular Weight399.81 g/mol
Exact Mass399.09
IUPAC Name5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1[nH]c2nc(Oc3cncc(C)c3)nc(Oc3cncc(F)c3)c2c1Cl
InChIInChI=1S/C19H15ClFN5O2/c1-3-14-16(20)15-17(24-14)25-19(28-12-4-10(2)6-22-8-12)26-18(15)27-13-5-11(21)7-23-9-13/h4-9H,3H2,1-2H3,(H,24,25,26)
InChIKeyGDKXUVUXGZXYQK-UHFFFAOYSA-N
XLogP5.00
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.81
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine (CID 126551073) is 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is CCc1[nH]c2nc(Oc3cncc(C)c3)nc(Oc3cncc(F)c3)c2c1Cl.
What is the InChIKey of 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GDKXUVUXGZXYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN5O2/c1-3-14-16(20)15-17(24-14)25-19(28-12-4-10(2)6-22-8-12)26-18(15)27-13-5-11(21)7-23-9-13/h4-9H,3H2,1-2H3,(H,24,25,26).
What are the key properties of 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine?
5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 399.81 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-[(5-methyl-3-pyridinyl)oxy]-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 126551073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).