(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine

C12H20N4O — CID 80920357

IUPAC(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
SMILESCc1cc(OC2CCCCCC2)nc(NN)n1
InChIInChI=1S/C12H20N4O/c1-9-8-11(15-12(14-9)16-13)17-10-6-4-2-3-5-7-10/h8,10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyYZHLOBBHVBUUAN-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.17
Rot. Bonds3

About (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine

(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine (PubChem CID 80920357) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
PubChem CID80920357
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine
SMILESCc1cc(OC2CCCCCC2)nc(NN)n1
InChIInChI=1S/C12H20N4O/c1-9-8-11(15-12(14-9)16-13)17-10-6-4-2-3-5-7-10/h8,10H,2-7,13H2,1H3,(H,14,15,16)
InChIKeyYZHLOBBHVBUUAN-UHFFFAOYSA-N
XLogP2.17
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.17
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 (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine?
The IUPAC name of (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine (CID 80920357) is (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine is Cc1cc(OC2CCCCCC2)nc(NN)n1.
What is the InChIKey of (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine?
The InChIKey is YZHLOBBHVBUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-8-11(15-12(14-9)16-13)17-10-6-4-2-3-5-7-10/h8,10H,2-7,13H2,1H3,(H,14,15,16).
What are the key properties of (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine?
(4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine has a molecular weight of 236.32 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cycloheptyloxy-6-methylpyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80920357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).