methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate

C14H17N5O2 — CID 80904163

IUPACmethyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nc(NN)ncc1C)c1ccccc1
InChIInChI=1S/C14H17N5O2/c1-9-8-16-14(19-15)18-12(9)17-11(13(20)21-2)10-6-4-3-5-7-10/h3-8,11H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPBKLYKCYHZZFSP-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.40
Rot. Bonds5

About methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate

methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate (PubChem CID 80904163) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate
PubChem CID80904163
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Namemethyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate
SMILESCOC(=O)C(Nc1nc(NN)ncc1C)c1ccccc1
InChIInChI=1S/C14H17N5O2/c1-9-8-16-14(19-15)18-12(9)17-11(13(20)21-2)10-6-4-3-5-7-10/h3-8,11H,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyPBKLYKCYHZZFSP-UHFFFAOYSA-N
XLogP1.40
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.40
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-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]-2-phenylacetate
CID 80798568
methyl (2S)-2-phenyl-2-(pyrimidin-2-ylamino)acetate
CID 94357367
methyl 2-[(4-methylpyrimidin-2-yl)amino]-2-phenylacetate
CID 55133777
methyl 2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-2-phenylacetate
CID 106997695
methyl 2-[(4-aminopyrimidin-2-yl)amino]-2-phenylacetate
CID 116795818
methyl 2-[(2-methylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62785286
methyl 2-phenyl-2-(3,4,5-trimethylanilino)acetate
CID 162406371
methyl 2-[(6-amino-3-pyridinyl)amino]-2-phenylacetate
CID 55036159
methyl (2S)-2-phenyl-2-(pyridin-2-ylamino)acetate
CID 102268915
methyl 2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-phenylacetate
CID 62111309
methyl 2-[(4-methyl-3-oxopyrazin-2-yl)amino]-2-phenylacetate
CID 62939898
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate (CID 80904163) is methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate is COC(=O)C(Nc1nc(NN)ncc1C)c1ccccc1.
What is the InChIKey of methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate?
The InChIKey is PBKLYKCYHZZFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-9-8-16-14(19-15)18-12(9)17-11(13(20)21-2)10-6-4-3-5-7-10/h3-8,11H,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate?
methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate has a molecular weight of 287.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-phenylacetate is sourced from PubChem (CID 80904163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).