N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine

C19H16N4O3 — CID 3237768

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C19H16N4O3/c1-12-3-5-15(26-12)17-18(23-8-2-7-20-19(23)22-17)21-13-4-6-14-16(11-13)25-10-9-24-14/h2-8,11,21H,9-10H2,1H3
InChIKeyJRDRKASSSVWRMS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.81
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 3237768) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID3237768
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1
InChIInChI=1S/C19H16N4O3/c1-12-3-5-15(26-12)17-18(23-8-2-7-20-19(23)22-17)21-13-4-6-14-16(11-13)25-10-9-24-14/h2-8,11,21H,9-10H2,1H3
InChIKeyJRDRKASSSVWRMS-UHFFFAOYSA-N
XLogP3.81
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 3237768) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is JRDRKASSSVWRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-12-3-5-15(26-12)17-18(23-8-2-7-20-19(23)22-17)21-13-4-6-14-16(11-13)25-10-9-24-14/h2-8,11,21H,9-10H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 348.36 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 3237768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).