ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate

C12H19N5O2 — CID 80995205

IUPACethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C12H19N5O2/c1-3-19-9(18)6-14-10-7(2)11(17-13)16-12(15-10)8-4-5-8/h8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMXPDPIQFVWEWBS-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.92
Rot. Bonds6

About ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate

ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate (PubChem CID 80995205) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
PubChem CID80995205
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Nameethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
SMILESCCOC(=O)CNc1nc(C2CC2)nc(NN)c1C
InChIInChI=1S/C12H19N5O2/c1-3-19-9(18)6-14-10-7(2)11(17-13)16-12(15-10)8-4-5-8/h8H,3-6,13H2,1-2H3,(H2,14,15,16,17)
InChIKeyMXPDPIQFVWEWBS-UHFFFAOYSA-N
XLogP0.92
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.92
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

ethyl 2-[[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]amino]acetate
CID 80993671
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propylpyrimidin-4-amine
CID 81000575
methyl 2-[(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80970316
2-cyclopropyl-6-hydrazinyl-5-methyl-N-octylpyrimidin-4-amine
CID 115565442
N-(2-butoxyethyl)-2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 81007682
2-cyclopropyl-6-hydrazinyl-5-methyl-N-(3-methylsulfonylpropyl)pyrimidin-4-amine
CID 81006052
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 80995092
3-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 81006614
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylbutan-1-ol
CID 81006717
1-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106150366
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
CID 102761686
2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-ethylethanesulfonamide
CID 106341084

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate (CID 80995205) is ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate is CCOC(=O)CNc1nc(C2CC2)nc(NN)c1C.
What is the InChIKey of ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate?
The InChIKey is MXPDPIQFVWEWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-19-9(18)6-14-10-7(2)11(17-13)16-12(15-10)8-4-5-8/h8H,3-6,13H2,1-2H3,(H2,14,15,16,17).
What are the key properties of ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate?
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate has a molecular weight of 265.32 g/mol, XLogP of 0.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80995205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).