2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine

C9H15BrN4 — CID 66319839

IUPAC2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncncc1Br
InChIInChI=1S/C9H15BrN4/c1-3-9(2,5-11)14-8-7(10)4-12-6-13-8/h4,6H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyVAWRYZOFSZGMAE-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.78
Rot. Bonds4

About 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine

2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine (PubChem CID 66319839) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
PubChem CID66319839
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncncc1Br
InChIInChI=1S/C9H15BrN4/c1-3-9(2,5-11)14-8-7(10)4-12-6-13-8/h4,6H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyVAWRYZOFSZGMAE-UHFFFAOYSA-N
XLogP1.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine (CID 66319839) is 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine is CCC(C)(CN)Nc1ncncc1Br.
What is the InChIKey of 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine?
The InChIKey is VAWRYZOFSZGMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-3-9(2,5-11)14-8-7(10)4-12-6-13-8/h4,6H,3,5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine?
2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromopyrimidin-4-yl)-2-methylbutane-1,2-diamine is sourced from PubChem (CID 66319839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).