[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine

C9H16N4O — CID 80909283

IUPAC[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C9H16N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyILCKWCBCLYTMFK-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds5

About [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine

[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80909283) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
PubChem CID80909283
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C9H16N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13)
InChIKeyILCKWCBCLYTMFK-UHFFFAOYSA-N
XLogP1.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
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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Related Compounds

N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
CID 80922595
(4-heptoxypyrimidin-2-yl)hydrazine
CID 80910870
[4-[2-(2-methoxyethoxy)ethoxy]pyrimidin-2-yl]hydrazine
CID 104568494
[4-(3-methylbut-3-enoxy)pyrimidin-2-yl]hydrazine
CID 114471298
(4-pent-4-enoxypyrimidin-2-yl)hydrazine
CID 80923088
N-(7-methyloctyl)-4-propoxypyrimidin-2-amine
CID 107816065
N-methyl-4-[2-(2-methylpropoxy)ethoxy]pyrimidin-2-amine
CID 106451393
2-hydrazinyl-N-(2-methylpropyl)-N-propan-2-ylpyrimidin-4-amine
CID 80904714
3-[(4-propoxypyrimidin-2-yl)amino]butan-1-ol
CID 112638477
[6-(4-methylpentoxy)-2-pyridinyl]hydrazine
CID 80911157
[4-(2-butan-2-ylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916193

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine (CID 80909283) is [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine is CC(C)CCOc1ccnc(NN)n1.
What is the InChIKey of [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is ILCKWCBCLYTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)4-6-14-8-3-5-11-9(12-8)13-10/h3,5,7H,4,6,10H2,1-2H3,(H,11,12,13).
What are the key properties of [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine?
[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 196.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).