4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

C19H17N3O4 — CID 83285566

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C19H17N3O4/c1-23-13-4-2-3-5-15(13)26-19-17(20)18(21-11-22-19)12-6-7-14-16(10-12)25-9-8-24-14/h2-7,10-11H,8-9,20H2,1H3
InChIKeyDPVXAFQLTSLHMI-UHFFFAOYSA-N
MW351.36 g/mol
LogP3.30
Rot. Bonds4

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine

4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 83285566) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID83285566
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(-c2ccc3c(c2)OCCO3)c1N
InChIInChI=1S/C19H17N3O4/c1-23-13-4-2-3-5-15(13)26-19-17(20)18(21-11-22-19)12-6-7-14-16(10-12)25-9-8-24-14/h2-7,10-11H,8-9,20H2,1H3
InChIKeyDPVXAFQLTSLHMI-UHFFFAOYSA-N
XLogP3.30
TPSA88.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 83285566) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(-c2ccc3c(c2)OCCO3)c1N.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is DPVXAFQLTSLHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-23-13-4-2-3-5-15(13)26-19-17(20)18(21-11-22-19)12-6-7-14-16(10-12)25-9-8-24-14/h2-7,10-11H,8-9,20H2,1H3.
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 351.36 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 83285566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).