5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine

C9H13BrN4 — CID 131065097

IUPAC5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CC(CNc2ncc(Br)cn2)C1
InChIInChI=1S/C9H13BrN4/c1-14-5-7(6-14)2-11-9-12-3-8(10)4-13-9/h3-4,7H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyDUJFEUAIVRPOCG-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.21
Rot. Bonds3

About 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine

5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine (PubChem CID 131065097) has the molecular formula C9H13BrN4 and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine
PubChem CID131065097
Molecular FormulaC9H13BrN4
Molecular Weight257.13 g/mol
Exact Mass256.03
IUPAC Name5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine
SMILESCN1CC(CNc2ncc(Br)cn2)C1
InChIInChI=1S/C9H13BrN4/c1-14-5-7(6-14)2-11-9-12-3-8(10)4-13-9/h3-4,7H,2,5-6H2,1H3,(H,11,12,13)
InChIKeyDUJFEUAIVRPOCG-UHFFFAOYSA-N
XLogP1.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-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

5-bromo-N-[(4-chlorocyclohexyl)methyl]pyrimidin-2-amine
CID 106126066
3-[[(5-bromopyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 103269690
5-bromo-N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]pyrimidin-2-amine;hydroiodide
CID 126801262
2-N-[(1-methylazetidin-3-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 131025917
(4S)-4-[[(5-bromopyrimidin-2-yl)amino]methyl]pyrrolidin-2-one
CID 122617109
5-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 79718992
5-bromo-2-N-methyl-4-N-[(1-methylpiperidin-3-yl)methyl]pyrimidine-2,4-diamine
CID 80812505
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-5-bromopyrimidin-2-amine
CID 78953515
N-(cyclopropylmethyl)-5-iodopyrimidin-2-amine
CID 115620662
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(3-chlorocyclopentyl)methyl]-5-iodopyrimidin-2-amine
CID 106123816

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine (CID 131065097) is 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine is CN1CC(CNc2ncc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is DUJFEUAIVRPOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN4/c1-14-5-7(6-14)2-11-9-12-3-8(10)4-13-9/h3-4,7H,2,5-6H2,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine?
5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 257.13 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-methylazetidin-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 131065097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).