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

C8H13F2N3 — CID 103281655

IUPAC5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2C(F)F)N1
InChIInChI=1S/C8H13F2N3/c1-5-4-13-6(7(9)10)2-3-11-8(13)12-5/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyKMQROARSMITPDM-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.67
Rot. Bonds1

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

5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103281655) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103281655
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2C(F)F)N1
InChIInChI=1S/C8H13F2N3/c1-5-4-13-6(7(9)10)2-3-11-8(13)12-5/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyKMQROARSMITPDM-UHFFFAOYSA-N
XLogP0.67
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103281655) is 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC1CN2C(=NCCC2C(F)F)N1.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is KMQROARSMITPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5-4-13-6(7(9)10)2-3-11-8(13)12-5/h5-7H,2-4H2,1H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 189.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103281655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).