7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C16H17FN4 — CID 43337078

IUPAC7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(-c3ccc(C)c(F)c3)c2n1
InChIInChI=1S/C16H17FN4/c1-8-5-6-12(7-13(8)17)21-10(3)9(2)14-15(18)19-11(4)20-16(14)21/h5-7H,1-4H3,(H2,18,19,20)
InChIKeySHTFOOKTLCJLKM-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.38
Rot. Bonds1

About 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337078) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337078
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(N)c2c(C)c(C)n(-c3ccc(C)c(F)c3)c2n1
InChIInChI=1S/C16H17FN4/c1-8-5-6-12(7-13(8)17)21-10(3)9(2)14-15(18)19-11(4)20-16(14)21/h5-7H,1-4H3,(H2,18,19,20)
InChIKeySHTFOOKTLCJLKM-UHFFFAOYSA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337078) is 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(N)c2c(C)c(C)n(-c3ccc(C)c(F)c3)c2n1.
What is the InChIKey of 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SHTFOOKTLCJLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-8-5-6-12(7-13(8)17)21-10(3)9(2)14-15(18)19-11(4)20-16(14)21/h5-7H,1-4H3,(H2,18,19,20).
What are the key properties of 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 284.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).