3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine

C11H18BrN3 — CID 63873435

IUPAC3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-5-13-9(3)8(2)11-14-6-10(12)7-15-11/h6-9,13H,4-5H2,1-3H3
InChIKeyVJCGBYQEDVXANK-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.73
Rot. Bonds5

About 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine

3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine (PubChem CID 63873435) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
PubChem CID63873435
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(C)C(C)c1ncc(Br)cn1
InChIInChI=1S/C11H18BrN3/c1-4-5-13-9(3)8(2)11-14-6-10(12)7-15-11/h6-9,13H,4-5H2,1-3H3
InChIKeyVJCGBYQEDVXANK-UHFFFAOYSA-N
XLogP2.73
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-methylpyrimidin-2-yl)-N-propylbutan-2-amine
CID 63206017
2-(5-bromopyrimidin-2-yl)-N-ethylpentan-3-amine
CID 63873624
5-bromo-2-butan-2-ylpyrimidine
CID 130120212
5-bromo-2-(3-chlorobutan-2-yl)pyrimidine
CID 63873635
3-(3-methylpyrazin-2-yl)-N-propylbutan-2-amine
CID 83064469
2-(5-bromo-3-methyl-2-pyridinyl)-N-propylpentan-3-amine
CID 79718140
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
4-(5-bromo-2-pyridinyl)-N-propylbutan-2-amine
CID 104799854
3-(6-methylpyridazin-3-yl)-N-propylbutan-2-amine
CID 63199903
N-[1-(5-bromo-1H-imidazol-2-yl)ethyl]propan-1-amine
CID 123282366
2-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302
3-(5-bromo-2-pyridinyl)-2-methyl-1-phenyl-N-propylpropan-1-amine
CID 104845549

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine (CID 63873435) is 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine is CCCNC(C)C(C)c1ncc(Br)cn1.
What is the InChIKey of 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine?
The InChIKey is VJCGBYQEDVXANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-4-5-13-9(3)8(2)11-14-6-10(12)7-15-11/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine?
3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine has a molecular weight of 272.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 63873435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).