5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine

C9H8BrF2N5 — CID 71862861

IUPAC5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESFC(F)Cn1ccc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C9H8BrF2N5/c10-6-3-13-9(14-4-6)15-8-1-2-17(16-8)5-7(11)12/h1-4,7H,5H2,(H,13,14,15,16)
InChIKeyNJRAQBRSZOSTPA-UHFFFAOYSA-N
MW304.10 g/mol
LogP2.44
Rot. Bonds4

About 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine

5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine (PubChem CID 71862861) has the molecular formula C9H8BrF2N5 and a molecular weight of 304.10 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
PubChem CID71862861
Molecular FormulaC9H8BrF2N5
Molecular Weight304.10 g/mol
Exact Mass302.99
IUPAC Name5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine
SMILESFC(F)Cn1ccc(Nc2ncc(Br)cn2)n1
InChIInChI=1S/C9H8BrF2N5/c10-6-3-13-9(14-4-6)15-8-1-2-17(16-8)5-7(11)12/h1-4,7H,5H2,(H,13,14,15,16)
InChIKeyNJRAQBRSZOSTPA-UHFFFAOYSA-N
XLogP2.44
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine (CID 71862861) is 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine is FC(F)Cn1ccc(Nc2ncc(Br)cn2)n1.
What is the InChIKey of 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
The InChIKey is NJRAQBRSZOSTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N5/c10-6-3-13-9(14-4-6)15-8-1-2-17(16-8)5-7(11)12/h1-4,7H,5H2,(H,13,14,15,16).
What are the key properties of 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine?
5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine has a molecular weight of 304.10 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,2-difluoroethyl)pyrazol-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 71862861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).