2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine

C15H17N3O2 — CID 62203655

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3c(c2)OCCO3)nc(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-10(2)17-15(18-14(9)16-3)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyYQZLBSNUSSPDET-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.57
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine (PubChem CID 62203655) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
PubChem CID62203655
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc3c(c2)OCCO3)nc(C)c1C
InChIInChI=1S/C15H17N3O2/c1-9-10(2)17-15(18-14(9)16-3)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18)
InChIKeyYQZLBSNUSSPDET-UHFFFAOYSA-N
XLogP2.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine (CID 62203655) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine is CNc1nc(-c2ccc3c(c2)OCCO3)nc(C)c1C.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine?
The InChIKey is YQZLBSNUSSPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-9-10(2)17-15(18-14(9)16-3)11-4-5-12-13(8-11)20-7-6-19-12/h4-5,8H,6-7H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,5,6-trimethylpyrimidin-4-amine is sourced from PubChem (CID 62203655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).