2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine

C14H15N3O2 — CID 115530049

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H15N3O2/c1-9-16-5-4-11(17-9)14(15)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14H,6-7,15H2,1H3
InChIKeyRHUXEMINAHYDMQ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine (PubChem CID 115530049) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
PubChem CID115530049
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine
SMILESCc1nccc(C(N)c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C14H15N3O2/c1-9-16-5-4-11(17-9)14(15)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14H,6-7,15H2,1H3
InChIKeyRHUXEMINAHYDMQ-UHFFFAOYSA-N
XLogP1.60
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methyl-2-pyridinyl)methanamine
CID 55221576
(3,5-dimethylphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530103
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methyl-3-pyridinyl)methanamine
CID 105141089
(3,5-dimethoxyphenyl)-(2-methylpyrimidin-4-yl)methanamine
CID 115530269
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
2,3-dihydro-1,4-benzodioxin-6-yl-(6-methoxypyridazin-3-yl)methanamine
CID 103373906
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrimidine
CID 116903863
(3-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 63194485
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylfuran-3-yl)methanamine
CID 43463994
2,3-dihydro-1,4-benzodioxin-6-yl-(3-ethyl-2-pyridinyl)methanamine
CID 82730296
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methyl-3-pyridinyl)methanamine
CID 105143380

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine (CID 115530049) is 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine is Cc1nccc(C(N)c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine?
The InChIKey is RHUXEMINAHYDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-16-5-4-11(17-9)14(15)10-2-3-12-13(8-10)19-7-6-18-12/h2-5,8,14H,6-7,15H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine?
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine has a molecular weight of 257.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanamine is sourced from PubChem (CID 115530049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).