(4-heptoxypyrimidin-2-yl)hydrazine

C11H20N4O — CID 80910870

IUPAC(4-heptoxypyrimidin-2-yl)hydrazine
SMILESCCCCCCCOc1ccnc(NN)n1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-9-16-10-7-8-13-11(14-10)15-12/h7-8H,2-6,9,12H2,1H3,(H,13,14,15)
InChIKeyZCNIVYXRQBDABK-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.11
Rot. Bonds8

About (4-heptoxypyrimidin-2-yl)hydrazine

(4-heptoxypyrimidin-2-yl)hydrazine (PubChem CID 80910870) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (4-heptoxypyrimidin-2-yl)hydrazine.

Molecular Properties

Compound Name(4-heptoxypyrimidin-2-yl)hydrazine
PubChem CID80910870
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(4-heptoxypyrimidin-2-yl)hydrazine
SMILESCCCCCCCOc1ccnc(NN)n1
InChIInChI=1S/C11H20N4O/c1-2-3-4-5-6-9-16-10-7-8-13-11(14-10)15-12/h7-8H,2-6,9,12H2,1H3,(H,13,14,15)
InChIKeyZCNIVYXRQBDABK-UHFFFAOYSA-N
XLogP2.11
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
(4-pent-4-enoxypyrimidin-2-yl)hydrazine
CID 80923088
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
N-butyl-N-ethyl-2-hydrazinylpyrimidin-4-amine
CID 80918365
(5-bromo-4-pentoxypyrimidin-2-yl)hydrazine
CID 80911741
(4-propylpyrimidin-2-yl)hydrazine
CID 116904097
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065

Frequently Asked Questions

What is the IUPAC name of (4-heptoxypyrimidin-2-yl)hydrazine?
The IUPAC name of (4-heptoxypyrimidin-2-yl)hydrazine (CID 80910870) is (4-heptoxypyrimidin-2-yl)hydrazine.
What is the SMILES notation for (4-heptoxypyrimidin-2-yl)hydrazine?
The canonical SMILES for (4-heptoxypyrimidin-2-yl)hydrazine is CCCCCCCOc1ccnc(NN)n1.
What is the InChIKey of (4-heptoxypyrimidin-2-yl)hydrazine?
The InChIKey is ZCNIVYXRQBDABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-2-3-4-5-6-9-16-10-7-8-13-11(14-10)15-12/h7-8H,2-6,9,12H2,1H3,(H,13,14,15).
What are the key properties of (4-heptoxypyrimidin-2-yl)hydrazine?
(4-heptoxypyrimidin-2-yl)hydrazine has a molecular weight of 224.31 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-heptoxypyrimidin-2-yl)hydrazine is sourced from PubChem (CID 80910870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).