5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine

C12H12BrF2N5 — CID 75370274

IUPAC5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESFC(F)n1ccnc1CN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C12H12BrF2N5/c13-8-5-17-12(18-6-8)20(9-1-2-9)7-10-16-3-4-19(10)11(14)15/h3-6,9,11H,1-2,7H2
InChIKeyZGNOSJYTGYEJMK-UHFFFAOYSA-N
MW344.16 g/mol
LogP3.00
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine

5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine (PubChem CID 75370274) has the molecular formula C12H12BrF2N5 and a molecular weight of 344.16 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine
PubChem CID75370274
Molecular FormulaC12H12BrF2N5
Molecular Weight344.16 g/mol
Exact Mass343.02
IUPAC Name5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine
SMILESFC(F)n1ccnc1CN(c1ncc(Br)cn1)C1CC1
InChIInChI=1S/C12H12BrF2N5/c13-8-5-17-12(18-6-8)20(9-1-2-9)7-10-16-3-4-19(10)11(14)15/h3-6,9,11H,1-2,7H2
InChIKeyZGNOSJYTGYEJMK-UHFFFAOYSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine (CID 75370274) is 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine is FC(F)n1ccnc1CN(c1ncc(Br)cn1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is ZGNOSJYTGYEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N5/c13-8-5-17-12(18-6-8)20(9-1-2-9)7-10-16-3-4-19(10)11(14)15/h3-6,9,11H,1-2,7H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine?
5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 344.16 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 75370274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).