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

C11H19BrN4 — CID 63873229

IUPACN'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-11(2,3)15-5-6-16(4)10-13-7-9(12)8-14-10/h7-8,15H,5-6H2,1-4H3
InChIKeyBVCYJIGQXGUMNR-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.06
Rot. Bonds4

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

N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine (PubChem CID 63873229) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
PubChem CID63873229
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)c1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-11(2,3)15-5-6-16(4)10-13-7-9(12)8-14-10/h7-8,15H,5-6H2,1-4H3
InChIKeyBVCYJIGQXGUMNR-UHFFFAOYSA-N
XLogP2.06
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.06
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-tert-butyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine (CID 63873229) is N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine is CN(CCNC(C)(C)C)c1ncc(Br)cn1.
What is the InChIKey of N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
The InChIKey is BVCYJIGQXGUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-11(2,3)15-5-6-16(4)10-13-7-9(12)8-14-10/h7-8,15H,5-6H2,1-4H3.
What are the key properties of N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine?
N'-(5-bromopyrimidin-2-yl)-N-tert-butyl-N'-methylethane-1,2-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.06, 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-tert-butyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63873229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).