N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine

C11H19BrN4 — CID 106142919

IUPACN-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16)
InChIKeyLHJSIDRRQWFLEO-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.42
Rot. Bonds6

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

N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine (PubChem CID 106142919) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
PubChem CID106142919
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine
SMILESCC(C)(CCCN)CNc1ncc(Br)cn1
InChIInChI=1S/C11H19BrN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16)
InChIKeyLHJSIDRRQWFLEO-UHFFFAOYSA-N
XLogP2.42
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine (CID 106142919) is N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine is CC(C)(CCCN)CNc1ncc(Br)cn1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
The InChIKey is LHJSIDRRQWFLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-11(2,4-3-5-13)8-16-10-14-6-9(12)7-15-10/h6-7H,3-5,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine?
N-(5-bromopyrimidin-2-yl)-2,2-dimethylpentane-1,5-diamine has a molecular weight of 287.20 g/mol, XLogP of 2.42, 6 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)-2,2-dimethylpentane-1,5-diamine is sourced from PubChem (CID 106142919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).