[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

C13H22N4O — CID 80681493

IUPAC[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)10-8-11(17-14)16-12(15-10)13(3)6-4-5-7-18-13/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMXASIPFVXSJYBY-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.30
Rot. Bonds3

About [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine

[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80681493) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80681493
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1cc(NN)nc(C2(C)CCCCO2)n1
InChIInChI=1S/C13H22N4O/c1-9(2)10-8-11(17-14)16-12(15-10)13(3)6-4-5-7-18-13/h8-9H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyMXASIPFVXSJYBY-UHFFFAOYSA-N
XLogP2.30
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80681493) is [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1cc(NN)nc(C2(C)CCCCO2)n1.
What is the InChIKey of [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is MXASIPFVXSJYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)10-8-11(17-14)16-12(15-10)13(3)6-4-5-7-18-13/h8-9H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 250.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyloxan-2-yl)-6-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80681493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).