2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

C15H17N3O3 — CID 62318591

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O3/c1-16-14-8-11(9-19-2)17-15(18-14)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyJFXYHQMSSIWDIQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.10
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (PubChem CID 62318591) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
PubChem CID62318591
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
SMILESCNc1cc(COC)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C15H17N3O3/c1-16-14-8-11(9-19-2)17-15(18-14)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18)
InChIKeyJFXYHQMSSIWDIQ-UHFFFAOYSA-N
XLogP2.10
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine (CID 62318591) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is CNc1cc(COC)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
The InChIKey is JFXYHQMSSIWDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-16-14-8-11(9-19-2)17-15(18-14)10-3-4-12-13(7-10)21-6-5-20-12/h3-4,7-8H,5-6,9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine has a molecular weight of 287.32 g/mol, XLogP of 2.10, 4 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-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 62318591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).