methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate

C8H12BrN5O2 — CID 80899107

IUPACmethyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(NN)ncc1Br
InChIInChI=1S/C8H12BrN5O2/c1-16-6(15)2-3-11-7-5(9)4-12-8(13-7)14-10/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyMQUYZSJLBOMPDV-UHFFFAOYSA-N
MW290.12 g/mol
LogP0.50
Rot. Bonds5

About methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate

methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate (PubChem CID 80899107) has the molecular formula C8H12BrN5O2 and a molecular weight of 290.12 g/mol. Its IUPAC name is methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
PubChem CID80899107
Molecular FormulaC8H12BrN5O2
Molecular Weight290.12 g/mol
Exact Mass289.02
IUPAC Namemethyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1nc(NN)ncc1Br
InChIInChI=1S/C8H12BrN5O2/c1-16-6(15)2-3-11-7-5(9)4-12-8(13-7)14-10/h4H,2-3,10H2,1H3,(H2,11,12,13,14)
InChIKeyMQUYZSJLBOMPDV-UHFFFAOYSA-N
XLogP0.50
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate 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-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]pentanamide
CID 106241957
1-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 80913402
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2-hydroxypropanamide
CID 106179503
methyl 3-[(3-bromo-5-chloro-2-pyridinyl)amino]propanoate
CID 114835706
N-(5-bromo-2-hydrazinylpyrimidin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 80918989
5-bromo-2-hydrazinyl-N-[2-(3-methylbutoxy)ethyl]pyrimidin-4-amine
CID 80903174
5-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]pentanamide
CID 114162870
3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366608
5-bromo-2-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyrimidin-4-amine
CID 80908831
3-[(5-chloro-2-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80903270
methyl 3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanylpropanoate
CID 80922919

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate (CID 80899107) is methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate is COC(=O)CCNc1nc(NN)ncc1Br.
What is the InChIKey of methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate?
The InChIKey is MQUYZSJLBOMPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN5O2/c1-16-6(15)2-3-11-7-5(9)4-12-8(13-7)14-10/h4H,2-3,10H2,1H3,(H2,11,12,13,14).
What are the key properties of methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate?
methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate has a molecular weight of 290.12 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80899107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).