N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine

C20H16N4O3 — CID 86292573

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine
SMILESc1nc(Nc2ccc3c(c2)OCCO3)cc(Oc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C20H16N4O3/c1-4-17-18(26-8-7-25-17)10-14(1)24-19-11-20(23-12-22-19)27-15-2-3-16-13(9-15)5-6-21-16/h1-6,9-12,21H,7-8H2,(H,22,23,24)
InChIKeyUGCYRMKQVUACMO-UHFFFAOYSA-N
MW360.37 g/mol
LogP4.26
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine (PubChem CID 86292573) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine
PubChem CID86292573
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine
SMILESc1nc(Nc2ccc3c(c2)OCCO3)cc(Oc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C20H16N4O3/c1-4-17-18(26-8-7-25-17)10-14(1)24-19-11-20(23-12-22-19)27-15-2-3-16-13(9-15)5-6-21-16/h1-6,9-12,21H,7-8H2,(H,22,23,24)
InChIKeyUGCYRMKQVUACMO-UHFFFAOYSA-N
XLogP4.26
TPSA81.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine (CID 86292573) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine is c1nc(Nc2ccc3c(c2)OCCO3)cc(Oc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine?
The InChIKey is UGCYRMKQVUACMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-4-17-18(26-8-7-25-17)10-14(1)24-19-11-20(23-12-22-19)27-15-2-3-16-13(9-15)5-6-21-16/h1-6,9-12,21H,7-8H2,(H,22,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine has a molecular weight of 360.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(1H-indol-5-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 86292573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).