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

C8H13BrN4 — CID 63872493

IUPACN'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H13BrN4/c1-10-3-4-13(2)8-11-5-7(9)6-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyKIBHPIURXOBJQY-UHFFFAOYSA-N
MW245.12 g/mol
LogP0.89
Rot. Bonds4

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

N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 63872493) has the molecular formula C8H13BrN4 and a molecular weight of 245.12 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID63872493
Molecular FormulaC8H13BrN4
Molecular Weight245.12 g/mol
Exact Mass244.03
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1ncc(Br)cn1
InChIInChI=1S/C8H13BrN4/c1-10-3-4-13(2)8-11-5-7(9)6-12-8/h5-6,10H,3-4H2,1-2H3
InChIKeyKIBHPIURXOBJQY-UHFFFAOYSA-N
XLogP0.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine (CID 63872493) is N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is KIBHPIURXOBJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN4/c1-10-3-4-13(2)8-11-5-7(9)6-12-8/h5-6,10H,3-4H2,1-2H3.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 245.12 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-bromopyrimidin-2-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 63872493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).