[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C12H17N5O — CID 62251478

IUPAC[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1noc(C)c1-c1nc(NN)cc(C(C)C)n1
InChIInChI=1S/C12H17N5O/c1-6(2)9-5-10(16-13)15-12(14-9)11-7(3)17-18-8(11)4/h5-6H,13H2,1-4H3,(H,14,15,16)
InChIKeyLZDKOYUETYVAGN-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.16
Rot. Bonds3

About [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 62251478) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID62251478
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1noc(C)c1-c1nc(NN)cc(C(C)C)n1
InChIInChI=1S/C12H17N5O/c1-6(2)9-5-10(16-13)15-12(14-9)11-7(3)17-18-8(11)4/h5-6H,13H2,1-4H3,(H,14,15,16)
InChIKeyLZDKOYUETYVAGN-UHFFFAOYSA-N
XLogP2.16
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 62251478) is [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1noc(C)c1-c1nc(NN)cc(C(C)C)n1.
What is the InChIKey of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is LZDKOYUETYVAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-6(2)9-5-10(16-13)15-12(14-9)11-7(3)17-18-8(11)4/h5-6H,13H2,1-4H3,(H,14,15,16).
What are the key properties of [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 247.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 62251478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).