2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C15H15N3O3 — CID 106471931

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(C2COc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H15N3O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2,(H2,16,17,18)
InChIKeyUGUQTIXQABXYAJ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.64
Rot. Bonds1

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106471931) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106471931
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESNc1nc(C2COc3ccccc3O2)nc2c1COCC2
InChIInChI=1S/C15H15N3O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2,(H2,16,17,18)
InChIKeyUGUQTIXQABXYAJ-UHFFFAOYSA-N
XLogP1.64
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

4-cyclopropyl-6-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,5-triazin-2-amine
CID 65356241
4-chloro-2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106600629
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5,6-dimethylpyrimidin-4-yl]hydrazine
CID 65351585
[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65351595
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740565
2-(4-propylmorpholin-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472072
2-(2,3-dimethylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472866
3-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97330359
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 65352023
4-(4-amino-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)phenol
CID 136982295
2-(2,3-dihydro-1,4-benzoxathiin-2-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 106601914
2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471849

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106471931) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is Nc1nc(C2COc3ccccc3O2)nc2c1COCC2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is UGUQTIXQABXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14-9-7-19-6-5-10(9)17-15(18-14)13-8-20-11-3-1-2-4-12(11)21-13/h1-4,13H,5-8H2,(H2,16,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 285.30 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).