7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C15H19F3N4 — CID 95826739

IUPAC7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C15H19F3N4/c1-10(2)21-6-3-11(4-7-21)12-9-13(15(16,17)18)22-8-5-19-14(22)20-12/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeyOYSHMNBUQPUEII-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.34
Rot. Bonds2

About 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine

7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 95826739) has the molecular formula C15H19F3N4 and a molecular weight of 312.34 g/mol. Its IUPAC name is 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID95826739
Molecular FormulaC15H19F3N4
Molecular Weight312.34 g/mol
Exact Mass312.16
IUPAC Name7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCC(C)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1
InChIInChI=1S/C15H19F3N4/c1-10(2)21-6-3-11(4-7-21)12-9-13(15(16,17)18)22-8-5-19-14(22)20-12/h5,8-11H,3-4,6-7H2,1-2H3
InChIKeyOYSHMNBUQPUEII-UHFFFAOYSA-N
XLogP3.34
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 95826739) is 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CC(C)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1.
What is the InChIKey of 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is OYSHMNBUQPUEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4/c1-10(2)21-6-3-11(4-7-21)12-9-13(15(16,17)18)22-8-5-19-14(22)20-12/h5,8-11H,3-4,6-7H2,1-2H3.
What are the key properties of 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 312.34 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-propan-2-ylpiperidin-4-yl)-5-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 95826739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).