4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine

C11H9N3O3 — CID 80881241

IUPAC4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C11H9N3O3/c12-11-13-4-3-10(14-11)17-7-1-2-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,12,13,14)
InChIKeyNEHOIPDSFITDSU-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.58
Rot. Bonds2

About 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine

4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine (PubChem CID 80881241) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
PubChem CID80881241
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine
SMILESNc1nccc(Oc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C11H9N3O3/c12-11-13-4-3-10(14-11)17-7-1-2-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,12,13,14)
InChIKeyNEHOIPDSFITDSU-UHFFFAOYSA-N
XLogP1.58
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,3-benzodioxol-5-yloxy)-6-chloropyrimidin-2-amine
CID 47151279
4-(4-methoxyphenoxy)pyrimidin-2-amine
CID 80869938
[6-(1,3-benzodioxol-5-yloxy)-3-chloro-2-pyridinyl]methanamine
CID 62297582
6-(1,3-benzodioxol-5-yloxy)-2-methylpyridine-3-carbaldehyde
CID 86611552
2-[6-(1,3-benzodioxol-5-yloxy)-2-fluoro-3-pyridinyl]acetamide
CID 18629106
6-(1,3-benzodioxol-5-yloxy)-5-methylpyridin-3-amine
CID 62476577
3-(1,3-benzodioxol-5-yloxy)pyrazine-2-carbothioamide
CID 62684138
N-[[2-(1,3-benzodioxol-5-yloxy)-4-pyridinyl]methyl]propan-1-amine
CID 62295833
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
CID 80882204
2-(1,3-benzodioxol-5-yloxy)-3,5,6-trichloropyridine
CID 113222181
2-(1,3-benzodioxol-5-yloxy)-5-bromopyrimidine
CID 63868415
methyl 6-(1,3-benzodioxol-5-yloxy)-2-fluoropyridine-3-carboxylate
CID 18629122

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine (CID 80881241) is 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine is Nc1nccc(Oc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine?
The InChIKey is NEHOIPDSFITDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c12-11-13-4-3-10(14-11)17-7-1-2-8-9(5-7)16-6-15-8/h1-5H,6H2,(H2,12,13,14).
What are the key properties of 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine?
4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine has a molecular weight of 231.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 80881241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).