N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

C10H17BrN4O — CID 63872311

IUPACN'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4O/c1-15(5-3-12-4-6-16-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyAUKCIQDLVDRZAX-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.91
Rot. Bonds7

About N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine

N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (PubChem CID 63872311) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
PubChem CID63872311
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
SMILESCOCCNCCN(C)c1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4O/c1-15(5-3-12-4-6-16-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3
InChIKeyAUKCIQDLVDRZAX-UHFFFAOYSA-N
XLogP0.91
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine (CID 63872311) is N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is COCCNCCN(C)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
The InChIKey is AUKCIQDLVDRZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-15(5-3-12-4-6-16-2)10-13-7-9(11)8-14-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine?
N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine has a molecular weight of 289.18 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63872311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).