methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate

C9H15N5O2 — CID 80897187

IUPACmethyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C9H15N5O2/c1-5-7(11-4-12-8(5)14-10)13-6(2)9(15)16-3/h4,6H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeySYHUIDHUMCCVRV-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.04
Rot. Bonds4

About methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate

methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate (PubChem CID 80897187) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
PubChem CID80897187
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Namemethyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1ncnc(NN)c1C
InChIInChI=1S/C9H15N5O2/c1-5-7(11-4-12-8(5)14-10)13-6(2)9(15)16-3/h4,6H,10H2,1-3H3,(H2,11,12,13,14)
InChIKeySYHUIDHUMCCVRV-UHFFFAOYSA-N
XLogP0.04
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.04
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

2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80896950
2-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80788224
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
CID 66327662
methyl 2-[(5-bromopyrimidin-4-yl)amino]propanoate
CID 66342541
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
methyl 2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)propanoate
CID 62831506
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80802366
2-[(5,6-dimethylpyrimidin-4-yl)amino]propanoic acid
CID 83619941
2-N-(6-hydrazinyl-5-methylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82949727
2-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80897748
3-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163694
methyl 2-[(2-chloro-5-methylpyrimidin-4-yl)amino]propanoate
CID 79076713

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate?
The IUPAC name of methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate (CID 80897187) is methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate is COC(=O)C(C)Nc1ncnc(NN)c1C.
What is the InChIKey of methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate?
The InChIKey is SYHUIDHUMCCVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5-7(11-4-12-8(5)14-10)13-6(2)9(15)16-3/h4,6H,10H2,1-3H3,(H2,11,12,13,14).
What are the key properties of methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate?
methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate has a molecular weight of 225.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate is sourced from PubChem (CID 80897187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).