N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine

C10H17BrN4 — CID 107844829

IUPACN'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
SMILESNCCCCCCNc1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4/c11-9-7-14-10(15-8-9)13-6-4-2-1-3-5-12/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyZJSFXHQEFDNCDA-UHFFFAOYSA-N
MW273.18 g/mol
LogP2.17
Rot. Bonds7

About N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine

N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine (PubChem CID 107844829) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
PubChem CID107844829
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine
SMILESNCCCCCCNc1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4/c11-9-7-14-10(15-8-9)13-6-4-2-1-3-5-12/h7-8H,1-6,12H2,(H,13,14,15)
InChIKeyZJSFXHQEFDNCDA-UHFFFAOYSA-N
XLogP2.17
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-bromopyrimidin-2-yl)amino]hexan-1-ol
CID 103918084
5-bromo-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
CID 115486549
N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106142919
5-[(5-bromopyrimidin-2-yl)amino]pentan-2-ol
CID 107269196
N'-[5-(5-bromothiophen-2-yl)pyrimidin-2-yl]propane-1,3-diamine
CID 116974413
3-[(5-bromopyrimidin-2-yl)amino]propanamide
CID 63872635
N'-pyrazin-2-ylhexane-1,6-diamine
CID 107845150
N,N'-di(pyrimidin-2-yl)dodecane-1,12-diamine
CID 169229750
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
N'-(3-bromo-2-pyridinyl)hexane-1,6-diamine
CID 107845203
4-[2-(3-aminopropylamino)pyrimidin-5-yl]phenol
CID 117224175
(2S)-4-[(5-bromopyrimidin-2-yl)amino]butan-2-ol
CID 131107121

Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine (CID 107844829) is N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine is NCCCCCCNc1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine?
The InChIKey is ZJSFXHQEFDNCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c11-9-7-14-10(15-8-9)13-6-4-2-1-3-5-12/h7-8H,1-6,12H2,(H,13,14,15).
What are the key properties of N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine?
N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine has a molecular weight of 273.18 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 107844829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).