[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine

C12H21N5O — CID 80911487

IUPAC[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine
SMILESCOCC1CCN(c2cc(NN)nc(C)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9-14-11(16-13)7-12(15-9)17-5-3-10(4-6-17)8-18-2/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyFPUUONSJRFLHRJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.93
Rot. Bonds4

About [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine

[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80911487) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80911487
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine
SMILESCOCC1CCN(c2cc(NN)nc(C)n2)CC1
InChIInChI=1S/C12H21N5O/c1-9-14-11(16-13)7-12(15-9)17-5-3-10(4-6-17)8-18-2/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16)
InChIKeyFPUUONSJRFLHRJ-UHFFFAOYSA-N
XLogP0.93
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.93
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 [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine (CID 80911487) is [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine is COCC1CCN(c2cc(NN)nc(C)n2)CC1.
What is the InChIKey of [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is FPUUONSJRFLHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-9-14-11(16-13)7-12(15-9)17-5-3-10(4-6-17)8-18-2/h7,10H,3-6,8,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine?
[6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 251.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(methoxymethyl)piperidin-1-yl]-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80911487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).