2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine

C15H17N3O3 — CID 62906634

IUPAC2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCc2ccc3c(c2)OCO3)ccc1N
InChIInChI=1S/C15H17N3O3/c1-2-19-15-11(16)4-6-14(18-15)17-8-10-3-5-12-13(7-10)21-9-20-12/h3-7H,2,8-9,16H2,1H3,(H,17,18)
InChIKeyVYSJJMCPELVAMD-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.40
Rot. Bonds5

About 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine

2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine (PubChem CID 62906634) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
PubChem CID62906634
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine
SMILESCCOc1nc(NCc2ccc3c(c2)OCO3)ccc1N
InChIInChI=1S/C15H17N3O3/c1-2-19-15-11(16)4-6-14(18-15)17-8-10-3-5-12-13(7-10)21-9-20-12/h3-7H,2,8-9,16H2,1H3,(H,17,18)
InChIKeyVYSJJMCPELVAMD-UHFFFAOYSA-N
XLogP2.40
TPSA78.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-ethoxyphenyl)pyrimidine-2,4-diamine
CID 155200615
6-ethoxy-2-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 61351162
N-(1,3-benzodioxol-5-ylmethyl)pyrido[2,3-b]pyrazin-6-amine
CID 78980843
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-methylphenyl)pyrimidine-2,4-diamine
CID 176893657
N-(1,3-benzodioxol-5-ylmethyl)-6-ethylpyrimidin-4-amine
CID 55131031
ethyl 2-[[4-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-2-yl]amino]benzoate
CID 112892762
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889857
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-benzylpyrimidine-2,4-diamine
CID 112889574
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 82456598
4-N-(1,3-benzodioxol-5-ylmethyl)-2-N-(3-methoxypropyl)pyrimidine-2,4-diamine
CID 112886197
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112888389

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine (CID 62906634) is 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine is CCOc1nc(NCc2ccc3c(c2)OCO3)ccc1N.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine?
The InChIKey is VYSJJMCPELVAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-19-15-11(16)4-6-14(18-15)17-8-10-3-5-12-13(7-10)21-9-20-12/h3-7H,2,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine?
2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine has a molecular weight of 287.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-ylmethyl)-6-ethoxypyridine-2,5-diamine is sourced from PubChem (CID 62906634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).