2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine

C20H15ClN4O2 — CID 5240344

IUPAC2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H15ClN4O2/c21-14-4-2-13(3-5-14)18-19(25-9-1-8-22-20(25)24-18)23-15-6-7-16-17(12-15)27-11-10-26-16/h1-9,12,23H,10-11H2
InChIKeyOHHDVODXJBZTJI-UHFFFAOYSA-N
MW378.82 g/mol
LogP4.56
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine

2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 5240344) has the molecular formula C20H15ClN4O2 and a molecular weight of 378.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID5240344
Molecular FormulaC20H15ClN4O2
Molecular Weight378.82 g/mol
Exact Mass378.09
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESClc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H15ClN4O2/c21-14-4-2-13(3-5-14)18-19(25-9-1-8-22-20(25)24-18)23-15-6-7-16-17(12-15)27-11-10-26-16/h1-9,12,23H,10-11H2
InChIKeyOHHDVODXJBZTJI-UHFFFAOYSA-N
XLogP4.56
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.82
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 5240344) is 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine is Clc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is OHHDVODXJBZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O2/c21-14-4-2-13(3-5-14)18-19(25-9-1-8-22-20(25)24-18)23-15-6-7-16-17(12-15)27-11-10-26-16/h1-9,12,23H,10-11H2.
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine?
2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 378.82 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 5240344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).