N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

C14H15Br2N3O2 — CID 62084831

IUPACN-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(N3CCOCC3)nc2)oc1Br
InChIInChI=1S/C14H15Br2N3O2/c15-12-7-11(21-14(12)16)9-17-10-1-2-13(18-8-10)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6,9H2
InChIKeyIRACQKBKFASYLU-UHFFFAOYSA-N
MW417.10 g/mol
LogP3.65
Rot. Bonds4

About N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine

N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (PubChem CID 62084831) has the molecular formula C14H15Br2N3O2 and a molecular weight of 417.10 g/mol. Its IUPAC name is N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
PubChem CID62084831
Molecular FormulaC14H15Br2N3O2
Molecular Weight417.10 g/mol
Exact Mass414.95
IUPAC NameN-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine
SMILESBrc1cc(CNc2ccc(N3CCOCC3)nc2)oc1Br
InChIInChI=1S/C14H15Br2N3O2/c15-12-7-11(21-14(12)16)9-17-10-1-2-13(18-8-10)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6,9H2
InChIKeyIRACQKBKFASYLU-UHFFFAOYSA-N
XLogP3.65
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.10
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The IUPAC name of N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine (CID 62084831) is N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine.
What is the SMILES notation for N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The canonical SMILES for N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is Brc1cc(CNc2ccc(N3CCOCC3)nc2)oc1Br.
What is the InChIKey of N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
The InChIKey is IRACQKBKFASYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Br2N3O2/c15-12-7-11(21-14(12)16)9-17-10-1-2-13(18-8-10)19-3-5-20-6-4-19/h1-2,7-8,17H,3-6,9H2.
What are the key properties of N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine?
N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine has a molecular weight of 417.10 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dibromofuran-2-yl)methyl]-6-morpholin-4-ylpyridin-3-amine is sourced from PubChem (CID 62084831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).