5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C9H11FN4 — CID 59267238

IUPAC5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(F)c2c(N)ncnc21
InChIInChI=1S/C9H11FN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyQZCQCUMACIJVSR-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.73
Rot. Bonds1

About 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 59267238) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID59267238
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC(C)n1cc(F)c2c(N)ncnc21
InChIInChI=1S/C9H11FN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13)
InChIKeyQZCQCUMACIJVSR-UHFFFAOYSA-N
XLogP1.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 59267238) is 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is CC(C)n1cc(F)c2c(N)ncnc21.
What is the InChIKey of 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is QZCQCUMACIJVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-5(2)14-3-6(10)7-8(11)12-4-13-9(7)14/h3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 194.21 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59267238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).