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

C15H17N3O3 — CID 80938863

IUPAC6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc3c(c2)OCO3)nc(CC)n1
InChIInChI=1S/C15H17N3O3/c1-3-13-17-14(16-4-2)8-15(18-13)21-10-5-6-11-12(7-10)20-9-19-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyOMGFSUIMHQFPFZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.99
Rot. Bonds5

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

6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine (PubChem CID 80938863) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
PubChem CID80938863
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
SMILESCCNc1cc(Oc2ccc3c(c2)OCO3)nc(CC)n1
InChIInChI=1S/C15H17N3O3/c1-3-13-17-14(16-4-2)8-15(18-13)21-10-5-6-11-12(7-10)20-9-19-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18)
InChIKeyOMGFSUIMHQFPFZ-UHFFFAOYSA-N
XLogP2.99
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzodioxol-5-yloxy)-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80874544
6-(4-bromo-3-methylphenoxy)-N,2-diethylpyrimidin-4-amine
CID 83145689
6-[3-(dimethylamino)phenoxy]-N,2-diethylpyrimidin-4-amine
CID 80939069
6-(1,3-benzodioxol-5-yloxy)-N,2-dimethylpyrimidin-4-amine
CID 80882204
6-(4-chlorophenoxy)-N-ethyl-2-propylpyrimidin-4-amine
CID 80949548
5-(4-ethylphenoxy)-1,3-benzodioxole
CID 142013581
2-cyclopropyl-N-ethyl-6-(4-methoxyphenoxy)pyrimidin-4-amine
CID 80965737
4-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxybenzonitrile
CID 80944234
N,2-diethyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-amine
CID 80937644
N-(1,3-benzodioxol-5-ylmethyl)-6-methoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 82456598
N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154
[3-[6-(ethylamino)-2-propylpyrimidin-4-yl]oxyphenyl]methanol
CID 80942920

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine (CID 80938863) is 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine is CCNc1cc(Oc2ccc3c(c2)OCO3)nc(CC)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine?
The InChIKey is OMGFSUIMHQFPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-13-17-14(16-4-2)8-15(18-13)21-10-5-6-11-12(7-10)20-9-19-11/h5-8H,3-4,9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine?
6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine has a molecular weight of 287.32 g/mol, XLogP of 2.99, 5 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-diethylpyrimidin-4-amine is sourced from PubChem (CID 80938863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).