2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

C19H20N4O2 — CID 71898806

IUPAC2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1cnc2nc(CN3CCCC3c3ccc4c(c3)OCCO4)cn2c1
InChIInChI=1S/C19H20N4O2/c1-3-16(14-4-5-17-18(11-14)25-10-9-24-17)22(7-1)12-15-13-23-8-2-6-20-19(23)21-15/h2,4-6,8,11,13,16H,1,3,7,9-10,12H2
InChIKeyXSBFJRCXWQBLJP-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.84
Rot. Bonds3

About 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine

2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (PubChem CID 71898806) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
PubChem CID71898806
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine
SMILESc1cnc2nc(CN3CCCC3c3ccc4c(c3)OCCO4)cn2c1
InChIInChI=1S/C19H20N4O2/c1-3-16(14-4-5-17-18(11-14)25-10-9-24-17)22(7-1)12-15-13-23-8-2-6-20-19(23)21-15/h2,4-6,8,11,13,16H,1,3,7,9-10,12H2
InChIKeyXSBFJRCXWQBLJP-UHFFFAOYSA-N
XLogP2.84
TPSA51.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine (CID 71898806) is 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is c1cnc2nc(CN3CCCC3c3ccc4c(c3)OCCO4)cn2c1.
What is the InChIKey of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
The InChIKey is XSBFJRCXWQBLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-3-16(14-4-5-17-18(11-14)25-10-9-24-17)22(7-1)12-15-13-23-8-2-6-20-19(23)21-15/h2,4-6,8,11,13,16H,1,3,7,9-10,12H2.
What are the key properties of 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine?
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine has a molecular weight of 336.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 71898806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).