[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine

C11H19N5O — CID 80920309

IUPAC[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C11H19N5O/c1-8-10(15-12)13-7-14-11(8)17-9-3-5-16(2)6-4-9/h7,9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeySWLFZQYHKJCCPW-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.54
Rot. Bonds3

About [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine

[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine (PubChem CID 80920309) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
PubChem CID80920309
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1OC1CCN(C)CC1
InChIInChI=1S/C11H19N5O/c1-8-10(15-12)13-7-14-11(8)17-9-3-5-16(2)6-4-9/h7,9H,3-6,12H2,1-2H3,(H,13,14,15)
InChIKeySWLFZQYHKJCCPW-UHFFFAOYSA-N
XLogP0.54
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.54
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 [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine?
The IUPAC name of [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine (CID 80920309) is [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1OC1CCN(C)CC1.
What is the InChIKey of [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine?
The InChIKey is SWLFZQYHKJCCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-10(15-12)13-7-14-11(8)17-9-3-5-16(2)6-4-9/h7,9H,3-6,12H2,1-2H3,(H,13,14,15).
What are the key properties of [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine?
[5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine has a molecular weight of 237.31 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80920309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).