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

C16H19N3O2 — CID 62201527

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C16H19N3O2/c1-3-12-10-15(17-4-2)19-16(18-12)11-5-6-13-14(9-11)21-8-7-20-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyDFMGWOROOXOJAK-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.91
Rot. Bonds4

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

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine (PubChem CID 62201527) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
PubChem CID62201527
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine
SMILESCCNc1cc(CC)nc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C16H19N3O2/c1-3-12-10-15(17-4-2)19-16(18-12)11-5-6-13-14(9-11)21-8-7-20-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19)
InChIKeyDFMGWOROOXOJAK-UHFFFAOYSA-N
XLogP2.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethylpyrimidine
CID 43557902
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 62318591
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propylpyrimidine
CID 43557667
2-(3-bromo-4-fluorophenyl)-N,6-diethylpyrimidin-4-amine
CID 82800968
N,6-diethyl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 63479154
N,6-diethyl-2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-amine
CID 65096408
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyrimidin-4-amine
CID 62202609
N,6-diethyl-2-(5-ethylfuran-2-yl)pyrimidin-4-amine
CID 62346694
4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)-6-ethylpyrimidine
CID 43804064
2-(3-bromofuran-2-yl)-N,6-diethylpyrimidin-4-amine
CID 106889189
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-6-ethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133385669
2-(5-bromothiophen-2-yl)-N,6-diethylpyrimidin-4-amine
CID 62203466

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine (CID 62201527) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine is CCNc1cc(CC)nc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine?
The InChIKey is DFMGWOROOXOJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-12-10-15(17-4-2)19-16(18-12)11-5-6-13-14(9-11)21-8-7-20-13/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,6-diethylpyrimidin-4-amine has a molecular weight of 285.35 g/mol, XLogP of 2.91, 4 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,6-diethylpyrimidin-4-amine is sourced from PubChem (CID 62201527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).