[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine

C12H22N4O — CID 116730454

IUPAC[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
SMILESCCC(OC)c1nc(CC(C)C)cc(NN)n1
InChIInChI=1S/C12H22N4O/c1-5-10(17-4)12-14-9(6-8(2)3)7-11(15-12)16-13/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyQNKHDBPFEOQJIH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.06
Rot. Bonds6

About [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine

[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine (PubChem CID 116730454) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
PubChem CID116730454
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
SMILESCCC(OC)c1nc(CC(C)C)cc(NN)n1
InChIInChI=1S/C12H22N4O/c1-5-10(17-4)12-14-9(6-8(2)3)7-11(15-12)16-13/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,16)
InChIKeyQNKHDBPFEOQJIH-UHFFFAOYSA-N
XLogP2.06
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.06
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-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine (CID 116730454) is [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine is CCC(OC)c1nc(CC(C)C)cc(NN)n1.
What is the InChIKey of [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine?
The InChIKey is QNKHDBPFEOQJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10(17-4)12-14-9(6-8(2)3)7-11(15-12)16-13/h7-8,10H,5-6,13H2,1-4H3,(H,14,15,16).
What are the key properties of [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine?
[2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxypropyl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116730454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).