methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate

C11H19N5O2 — CID 80947630

IUPACmethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(NN)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C11H19N5O2/c1-4-5-8-14-9(6-10(15-8)16-12)13-7(2)11(17)18-3/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAPWXNJVHODZCGV-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.69
Rot. Bonds6

About methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate

methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate (PubChem CID 80947630) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
PubChem CID80947630
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Namemethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
SMILESCCCc1nc(NN)cc(NC(C)C(=O)OC)n1
InChIInChI=1S/C11H19N5O2/c1-4-5-8-14-9(6-10(15-8)16-12)13-7(2)11(17)18-3/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAPWXNJVHODZCGV-UHFFFAOYSA-N
XLogP0.69
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.69
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 2-[(6-hydrazinyl-2-propylpyrimidin-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

ethyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate
CID 80947723
methyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80955368
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80946866
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-propylpyrimidin-4-amine
CID 80946706
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propan-1-ol
CID 80947239
ethyl 2-[(6-amino-2-propylpyrimidin-4-yl)amino]propanoate
CID 80954453
6-hydrazinyl-N-(4-methoxybutan-2-yl)-2-propylpyrimidin-4-amine
CID 80946800
ethyl 2-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80964798
methyl 2-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 80937066
2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]butan-1-ol
CID 80947147
methyl 2-[(6-amino-2-ethylpyrimidin-4-yl)amino]propanoate
CID 80935382
methyl 2-[[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80961777

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate (CID 80947630) is methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate is CCCc1nc(NN)cc(NC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
The InChIKey is APWXNJVHODZCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-5-8-14-9(6-10(15-8)16-12)13-7(2)11(17)18-3/h6-7H,4-5,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate has a molecular weight of 253.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80947630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).