5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine

C9H7BrF2N4 — CID 134189408

IUPAC5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CC1(F)F
InChIInChI=1S/C9H7BrF2N4/c10-4-2-16(5-1-9(5,11)12)8-6(4)7(13)14-3-15-8/h2-3,5H,1H2,(H2,13,14,15)
InChIKeyZZVCTNOSPYGKAF-UHFFFAOYSA-N
MW289.08 g/mol
LogP2.36
Rot. Bonds1

About 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine

5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 134189408) has the molecular formula C9H7BrF2N4 and a molecular weight of 289.08 g/mol. Its IUPAC name is 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID134189408
Molecular FormulaC9H7BrF2N4
Molecular Weight289.08 g/mol
Exact Mass287.98
IUPAC Name5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Br)cn2C1CC1(F)F
InChIInChI=1S/C9H7BrF2N4/c10-4-2-16(5-1-9(5,11)12)8-6(4)7(13)14-3-15-8/h2-3,5H,1H2,(H2,13,14,15)
InChIKeyZZVCTNOSPYGKAF-UHFFFAOYSA-N
XLogP2.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.08
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 134189408) is 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(Br)cn2C1CC1(F)F.
What is the InChIKey of 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZZVCTNOSPYGKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2N4/c10-4-2-16(5-1-9(5,11)12)8-6(4)7(13)14-3-15-8/h2-3,5H,1H2,(H2,13,14,15).
What are the key properties of 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.08 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(2,2-difluorocyclopropyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 134189408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).