methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate

C11H17N5O2 — CID 80964074

IUPACmethyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H17N5O2/c1-18-10(17)4-5-13-8-6-9(16-12)15-11(14-8)7-2-3-7/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyTZPXJYWRKGLZCJ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.61
Rot. Bonds6

About methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate

methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate (PubChem CID 80964074) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
PubChem CID80964074
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Namemethyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)CCNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C11H17N5O2/c1-18-10(17)4-5-13-8-6-9(16-12)15-11(14-8)7-2-3-7/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyTZPXJYWRKGLZCJ-UHFFFAOYSA-N
XLogP0.61
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.61
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'}

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Related Compounds

methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
methyl 3-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964160
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215227
3-[2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118304
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
ethyl 3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]propanoate
CID 80908084
methyl 3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]propanoate
CID 80797128
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341124
N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 80968725
5-[[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]amino]pentanamide
CID 106241630

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate (CID 80964074) is methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate is COC(=O)CCNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate?
The InChIKey is TZPXJYWRKGLZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-10(17)4-5-13-8-6-9(16-12)15-11(14-8)7-2-3-7/h6-7H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate?
methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate has a molecular weight of 251.29 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80964074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).