methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate

C8H13N5O2 — CID 80944792

IUPACmethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C)nc(NN)n1
InChIInChI=1S/C8H13N5O2/c1-5-3-6(10-4-7(14)15-2)12-8(11-5)13-9/h3H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyXZIRFZDNZVXWGT-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.34
Rot. Bonds4

About methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate

methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate (PubChem CID 80944792) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
PubChem CID80944792
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Namemethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(C)nc(NN)n1
InChIInChI=1S/C8H13N5O2/c1-5-3-6(10-4-7(14)15-2)12-8(11-5)13-9/h3H,4,9H2,1-2H3,(H2,10,11,12,13)
InChIKeyXZIRFZDNZVXWGT-UHFFFAOYSA-N
XLogP-0.34
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.34
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-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-2-methylpropanamide
CID 80903386
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
CID 80969747
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
2-hydrazinyl-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80898571
ethyl 3-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]propanoate
CID 80816143
methyl 2-[(2-amino-6-bromopyrimidin-4-yl)amino]acetate
CID 131213825
methyl 2-[[6-(2,2-dimethylpropylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266860
2-hydrazinyl-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidin-4-amine
CID 80931728
(4,6-dimethylpyrimidin-2-yl)hydrazine;hydrochloride
CID 134128947
tert-butyl 2-[(4,6-dimethylpyrimidin-2-yl)amino]acetate
CID 143675559
2-hydrazinyl-6-methyl-N-(4-propan-2-yloxybutyl)pyrimidin-4-amine
CID 106012863

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate (CID 80944792) is methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(C)nc(NN)n1.
What is the InChIKey of methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is XZIRFZDNZVXWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5-3-6(10-4-7(14)15-2)12-8(11-5)13-9/h3H,4,9H2,1-2H3,(H2,10,11,12,13).
What are the key properties of methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate?
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80944792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).