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

C9H15BrN4 — CID 63873576

IUPAC3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ncc(Br)cn1
InChIInChI=1S/C9H15BrN4/c1-7(3-4-11)14(2)9-12-5-8(10)6-13-9/h5-7H,3-4,11H2,1-2H3
InChIKeyYFFKDTIUZPLAQE-UHFFFAOYSA-N
MW259.15 g/mol
LogP1.41
Rot. Bonds4

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

3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine (PubChem CID 63873576) has the molecular formula C9H15BrN4 and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
PubChem CID63873576
Molecular FormulaC9H15BrN4
Molecular Weight259.15 g/mol
Exact Mass258.05
IUPAC Name3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ncc(Br)cn1
InChIInChI=1S/C9H15BrN4/c1-7(3-4-11)14(2)9-12-5-8(10)6-13-9/h5-7H,3-4,11H2,1-2H3
InChIKeyYFFKDTIUZPLAQE-UHFFFAOYSA-N
XLogP1.41
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 63872878
2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
CID 63225624
1-(5-bromopyrimidin-2-yl)-1-methylhydrazine
CID 169495089
N'-(5-bromopyrimidin-2-yl)-N'-propylpropane-1,3-diamine
CID 63874708
N,5-dimethyl-N-(4-methylsulfanylbutan-2-yl)pyrimidin-2-amine
CID 133403717
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
CID 63225574
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
CID 116649589
N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 104606760
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
CID 79718360

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine (CID 63873576) is 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)c1ncc(Br)cn1.
What is the InChIKey of 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine?
The InChIKey is YFFKDTIUZPLAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4/c1-7(3-4-11)14(2)9-12-5-8(10)6-13-9/h5-7H,3-4,11H2,1-2H3.
What are the key properties of 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine?
3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine has a molecular weight of 259.15 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 63873576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).