N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine

C10H17BrN4 — CID 63874708

IUPACN'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4/c1-2-5-15(6-3-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyVZJDQOXUHJNRIE-UHFFFAOYSA-N
MW273.18 g/mol
LogP1.80
Rot. Bonds6

About N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine

N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine (PubChem CID 63874708) has the molecular formula C10H17BrN4 and a molecular weight of 273.18 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
PubChem CID63874708
Molecular FormulaC10H17BrN4
Molecular Weight273.18 g/mol
Exact Mass272.06
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
SMILESCCCN(CCCN)c1ncc(Br)cn1
InChIInChI=1S/C10H17BrN4/c1-2-5-15(6-3-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6,12H2,1H3
InChIKeyVZJDQOXUHJNRIE-UHFFFAOYSA-N
XLogP1.80
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 51.80
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'-propylpropane-1,3-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine (CID 63874708) is N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine is CCCN(CCCN)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
The InChIKey is VZJDQOXUHJNRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4/c1-2-5-15(6-3-4-12)10-13-7-9(11)8-14-10/h7-8H,2-6,12H2,1H3.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine?
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine has a molecular weight of 273.18 g/mol, XLogP of 1.80, 6 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'-propylpropane-1,3-diamine is sourced from PubChem (CID 63874708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).