5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine

C6H6BrF2N3 — CID 155821422

IUPAC5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine
SMILESCC(F)(F)c1nc(N)ncc1Br
InChIInChI=1S/C6H6BrF2N3/c1-6(8,9)4-3(7)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyHMMWACLTXVRPEO-UHFFFAOYSA-N
MW238.03 g/mol
LogP1.93
Rot. Bonds1

About 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine

5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine (PubChem CID 155821422) has the molecular formula C6H6BrF2N3 and a molecular weight of 238.03 g/mol. Its IUPAC name is 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine
PubChem CID155821422
Molecular FormulaC6H6BrF2N3
Molecular Weight238.03 g/mol
Exact Mass236.97
IUPAC Name5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine
SMILESCC(F)(F)c1nc(N)ncc1Br
InChIInChI=1S/C6H6BrF2N3/c1-6(8,9)4-3(7)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyHMMWACLTXVRPEO-UHFFFAOYSA-N
XLogP1.93
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.03
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine (CID 155821422) is 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine is CC(F)(F)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine?
The InChIKey is HMMWACLTXVRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrF2N3/c1-6(8,9)4-3(7)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12).
What are the key properties of 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine?
5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine has a molecular weight of 238.03 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1,1-difluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 155821422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).