2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C16H19F2N3 — CID 136710199

IUPAC2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NC(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H19F2N3/c1-16(2,3)14-9-21-7-6-13(19-15(21)20-14)10-4-5-11(17)12(18)8-10/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,20)
InChIKeyNPRQWPMJZDEIOE-UHFFFAOYSA-N
MW291.35 g/mol
LogP4.02
Rot. Bonds1

About 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710199) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710199
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)(C)c1cn2c(n1)NC(c1ccc(F)c(F)c1)CC2
InChIInChI=1S/C16H19F2N3/c1-16(2,3)14-9-21-7-6-13(19-15(21)20-14)10-4-5-11(17)12(18)8-10/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,20)
InChIKeyNPRQWPMJZDEIOE-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710199) is 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC(C)(C)c1cn2c(n1)NC(c1ccc(F)c(F)c1)CC2.
What is the InChIKey of 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is NPRQWPMJZDEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-16(2,3)14-9-21-7-6-13(19-15(21)20-14)10-4-5-11(17)12(18)8-10/h4-5,8-9,13H,6-7H2,1-3H3,(H,19,20).
What are the key properties of 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 291.35 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).