5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

C8H5BrF3N5 — CID 80868730

IUPAC5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(Br)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H5BrF3N5/c9-5-2-14-7(13)16-6(5)17-3-4(1-15-17)8(10,11)12/h1-3H,(H2,13,14,16)
InChIKeyGAMSZPYBPZJRJM-UHFFFAOYSA-N
MW308.06 g/mol
LogP2.03
Rot. Bonds1

About 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine

5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (PubChem CID 80868730) has the molecular formula C8H5BrF3N5 and a molecular weight of 308.06 g/mol. Its IUPAC name is 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
PubChem CID80868730
Molecular FormulaC8H5BrF3N5
Molecular Weight308.06 g/mol
Exact Mass306.97
IUPAC Name5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
SMILESNc1ncc(Br)c(-n2cc(C(F)(F)F)cn2)n1
InChIInChI=1S/C8H5BrF3N5/c9-5-2-14-7(13)16-6(5)17-3-4(1-15-17)8(10,11)12/h1-3H,(H2,13,14,16)
InChIKeyGAMSZPYBPZJRJM-UHFFFAOYSA-N
XLogP2.03
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.06
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine (CID 80868730) is 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is Nc1ncc(Br)c(-n2cc(C(F)(F)F)cn2)n1.
What is the InChIKey of 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
The InChIKey is GAMSZPYBPZJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N5/c9-5-2-14-7(13)16-6(5)17-3-4(1-15-17)8(10,11)12/h1-3H,(H2,13,14,16).
What are the key properties of 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine?
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine has a molecular weight of 308.06 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80868730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).