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

C10H15N5O2 — CID 80969747

IUPACmethyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-17-9(16)5-12-7-4-8(15-11)14-10(13-7)6-2-3-6/h4,6H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyHLPGNFAYWTWSNG-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.22
Rot. Bonds5

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

methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate (PubChem CID 80969747) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
PubChem CID80969747
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate
SMILESCOC(=O)CNc1cc(NN)nc(C2CC2)n1
InChIInChI=1S/C10H15N5O2/c1-17-9(16)5-12-7-4-8(15-11)14-10(13-7)6-2-3-6/h4,6H,2-3,5,11H2,1H3,(H2,12,13,14,15)
InChIKeyHLPGNFAYWTWSNG-UHFFFAOYSA-N
XLogP0.22
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.22
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 3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]propanoate
CID 80964074
2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl carbamate
CID 83215227
3-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-N,N-dimethylpropanamide
CID 80964019
2-cyclopropyl-6-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)pyrimidin-4-amine
CID 80969115
3-[2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 83118304
1-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106256622
methyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]acetate
CID 80944792
2-cyclopropyl-6-hydrazinyl-N-pentylpyrimidin-4-amine
CID 80968524
2-cyclopropyl-6-hydrazinyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80969047
methyl 2-[[6-(cyclobutylmethylamino)-2-methylpyrimidin-4-yl]amino]acetate
CID 115266861
2-cyclopropyl-6-hydrazinyl-N-(2-methylbutyl)pyrimidin-4-amine
CID 80964832
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylacetamide
CID 80966811

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate?
The IUPAC name of methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate (CID 80969747) is methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate is COC(=O)CNc1cc(NN)nc(C2CC2)n1.
What is the InChIKey of methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate?
The InChIKey is HLPGNFAYWTWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-17-9(16)5-12-7-4-8(15-11)14-10(13-7)6-2-3-6/h4,6H,2-3,5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate?
methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate has a molecular weight of 237.26 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 80969747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).