6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

C9H13N7O — CID 106412529

IUPAC6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCc2ncon2)n1
InChIInChI=1S/C9H13N7O/c1-6-13-8(4-9(14-6)15-10)11-3-2-7-12-5-17-16-7/h4-5H,2-3,10H2,1H3,(H2,11,13,14,15)
InChIKeyZIRFEYVRYIHESP-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.11
Rot. Bonds5

About 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine

6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (PubChem CID 106412529) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
PubChem CID106412529
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
SMILESCc1nc(NN)cc(NCCc2ncon2)n1
InChIInChI=1S/C9H13N7O/c1-6-13-8(4-9(14-6)15-10)11-3-2-7-12-5-17-16-7/h4-5H,2-3,10H2,1H3,(H2,11,13,14,15)
InChIKeyZIRFEYVRYIHESP-UHFFFAOYSA-N
XLogP0.11
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

5,6-dimethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrazin-2-amine
CID 106404238
2-methylsulfanyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412170
2,6-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrimidin-4-amine
CID 106403332
6-N-methyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412168
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
N-[2-(4-fluoro-2-methylphenyl)ethyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80926608
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-hydrazinyl-2-methyl-N-pentylpyrimidin-4-amine
CID 80932312
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
4-methyl-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,3-diamine
CID 106394127
2-tert-butyl-6-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 106401037

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine (CID 106412529) is 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is Cc1nc(NN)cc(NCCc2ncon2)n1.
What is the InChIKey of 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
The InChIKey is ZIRFEYVRYIHESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c1-6-13-8(4-9(14-6)15-10)11-3-2-7-12-5-17-16-7/h4-5H,2-3,10H2,1H3,(H2,11,13,14,15).
What are the key properties of 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine?
6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine has a molecular weight of 235.25 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106412529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).