5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

C7H11F2N3 — CID 103314746

IUPAC5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)C1CCN=C2NCCN21
InChIInChI=1S/C7H11F2N3/c8-6(9)5-1-2-10-7-11-3-4-12(5)7/h5-6H,1-4H2,(H,10,11)
InChIKeyQHWVHPDKWVFBPR-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.28
Rot. Bonds1

About 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103314746) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103314746
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESFC(F)C1CCN=C2NCCN21
InChIInChI=1S/C7H11F2N3/c8-6(9)5-1-2-10-7-11-3-4-12(5)7/h5-6H,1-4H2,(H,10,11)
InChIKeyQHWVHPDKWVFBPR-UHFFFAOYSA-N
XLogP0.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103314746) is 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is FC(F)C1CCN=C2NCCN21.
What is the InChIKey of 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is QHWVHPDKWVFBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-6(9)5-1-2-10-7-11-3-4-12(5)7/h5-6H,1-4H2,(H,10,11).
What are the key properties of 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 175.18 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103314746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).