7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C16H17FN4 — CID 43337044

IUPAC7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCc2ccccc2F)c2ncnc(N)c12
InChIInChI=1S/C16H17FN4/c1-10-11(2)21(16-14(10)15(18)19-9-20-16)8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyWNNYURBIRYNDRH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.01
Rot. Bonds3

About 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337044) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337044
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(CCc2ccccc2F)c2ncnc(N)c12
InChIInChI=1S/C16H17FN4/c1-10-11(2)21(16-14(10)15(18)19-9-20-16)8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8H2,1-2H3,(H2,18,19,20)
InChIKeyWNNYURBIRYNDRH-UHFFFAOYSA-N
XLogP3.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337044) is 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(CCc2ccccc2F)c2ncnc(N)c12.
What is the InChIKey of 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WNNYURBIRYNDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-10-11(2)21(16-14(10)15(18)19-9-20-16)8-7-12-5-3-4-6-13(12)17/h3-6,9H,7-8H2,1-2H3,(H2,18,19,20).
What are the key properties of 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 284.34 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-fluorophenyl)ethyl]-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).