6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine

C13H13N3O3 — CID 80882204

IUPAC6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc3c(c2)OCO3)nc(C)n1
InChIInChI=1S/C13H13N3O3/c1-8-15-12(14-2)6-13(16-8)19-9-3-4-10-11(5-9)18-7-17-10/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyMCNIOTMAIIOUGL-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.35
Rot. Bonds3

About 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine

6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80882204) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
PubChem CID80882204
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2ccc3c(c2)OCO3)nc(C)n1
InChIInChI=1S/C13H13N3O3/c1-8-15-12(14-2)6-13(16-8)19-9-3-4-10-11(5-9)18-7-17-10/h3-6H,7H2,1-2H3,(H,14,15,16)
InChIKeyMCNIOTMAIIOUGL-UHFFFAOYSA-N
XLogP2.35
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1,3-benzodioxol-5-yl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80759901
6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
CID 80938863
6-(1,3-benzodioxol-5-yloxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80874544
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4-(1,3-benzodioxol-5-yloxy)-2-cyclopropyl-1H-pyrimidin-6-one
CID 103241257
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
CID 80881241
6-[(5-bromo-3-pyridinyl)oxy]-N,2-dimethylpyrimidin-4-amine
CID 80876756
1,3-benzodioxol-5-yl-[4-[2-methyl-6-(4-methylphenoxy)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 121035129
1-[2-(1,3-benzodioxol-5-yloxy)-5-chloro-4-pyridinyl]-N-methylmethanamine
CID 114927963
methyl 6-(1,3-benzodioxol-5-yloxy)-2-fluoropyridine-3-carboxylate
CID 18629122
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine (CID 80882204) is 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2ccc3c(c2)OCO3)nc(C)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is MCNIOTMAIIOUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-8-15-12(14-2)6-13(16-8)19-9-3-4-10-11(5-9)18-7-17-10/h3-6H,7H2,1-2H3,(H,14,15,16).
What are the key properties of 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine?
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 259.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80882204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).