[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine

C12H18N4O — CID 80913888

IUPAC[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
SMILESCC1CC=CCC1COc1ccnc(NN)n1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-5-10(9)8-17-11-6-7-14-12(15-11)16-13/h2-3,6-7,9-10H,4-5,8,13H2,1H3,(H,14,15,16)
InChIKeyZNMRVBKHGZQIGV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.74
Rot. Bonds4

About [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine

[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine (PubChem CID 80913888) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
PubChem CID80913888
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
SMILESCC1CC=CCC1COc1ccnc(NN)n1
InChIInChI=1S/C12H18N4O/c1-9-4-2-3-5-10(9)8-17-11-6-7-14-12(15-11)16-13/h2-3,6-7,9-10H,4-5,8,13H2,1H3,(H,14,15,16)
InChIKeyZNMRVBKHGZQIGV-UHFFFAOYSA-N
XLogP1.74
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine (CID 80913888) is [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine is CC1CC=CCC1COc1ccnc(NN)n1.
What is the InChIKey of [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine?
The InChIKey is ZNMRVBKHGZQIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-2-3-5-10(9)8-17-11-6-7-14-12(15-11)16-13/h2-3,6-7,9-10H,4-5,8,13H2,1H3,(H,14,15,16).
What are the key properties of [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine?
[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine has a molecular weight of 234.30 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80913888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).