6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine

C11H5BrClF3N6 — CID 175858935

IUPAC6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cn2cc(Br)ncc2n1
InChIInChI=1S/C11H5BrClF3N6/c12-6-3-22-4-7(19-8(22)2-17-6)20-9-5(11(14,15)16)1-18-10(13)21-9/h1-4H,(H,18,20,21)
InChIKeyQPHBPYBNZNEBMU-UHFFFAOYSA-N
MW393.55 g/mol
LogP3.70
Rot. Bonds2

About 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine

6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine (PubChem CID 175858935) has the molecular formula C11H5BrClF3N6 and a molecular weight of 393.55 g/mol. Its IUPAC name is 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine
PubChem CID175858935
Molecular FormulaC11H5BrClF3N6
Molecular Weight393.55 g/mol
Exact Mass391.94
IUPAC Name6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine
SMILESFC(F)(F)c1cnc(Cl)nc1Nc1cn2cc(Br)ncc2n1
InChIInChI=1S/C11H5BrClF3N6/c12-6-3-22-4-7(19-8(22)2-17-6)20-9-5(11(14,15)16)1-18-10(13)21-9/h1-4H,(H,18,20,21)
InChIKeyQPHBPYBNZNEBMU-UHFFFAOYSA-N
XLogP3.70
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine?
The IUPAC name of 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine (CID 175858935) is 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine.
What is the SMILES notation for 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine?
The canonical SMILES for 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine is FC(F)(F)c1cnc(Cl)nc1Nc1cn2cc(Br)ncc2n1.
What is the InChIKey of 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine?
The InChIKey is QPHBPYBNZNEBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5BrClF3N6/c12-6-3-22-4-7(19-8(22)2-17-6)20-9-5(11(14,15)16)1-18-10(13)21-9/h1-4H,(H,18,20,21).
What are the key properties of 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine?
6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine has a molecular weight of 393.55 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyrazin-2-amine is sourced from PubChem (CID 175858935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).