[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine

C10H18N4O — CID 80922595

IUPAC[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)5-7-15-8-4-6-12-9(13-8)14-11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14)
InChIKeyWQVIXMIBBSLASQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.58
Rot. Bonds4

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

[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine (PubChem CID 80922595) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
PubChem CID80922595
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine
SMILESCC(C)(C)CCOc1ccnc(NN)n1
InChIInChI=1S/C10H18N4O/c1-10(2,3)5-7-15-8-4-6-12-9(13-8)14-11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14)
InChIKeyWQVIXMIBBSLASQ-UHFFFAOYSA-N
XLogP1.58
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.58
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

[4-(3-methylbutoxy)pyrimidin-2-yl]hydrazine
CID 80909283
(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
N-[2-(2-hydrazinylpyrimidin-4-yl)oxyethyl]-N-propan-2-ylpropan-2-amine
CID 115506033
(4-pent-4-enoxypyrimidin-2-yl)hydrazine
CID 80923088
[4-(3,3-dimethylbutoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567814
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
N-(2,2-dimethylheptyl)-4-propoxypyrimidin-2-amine
CID 115975266
[4-[(6-methylcyclohex-3-en-1-yl)methoxy]pyrimidin-2-yl]hydrazine
CID 80913888
2-hydrazinyl-N-(3-methoxypropyl)pyrimidin-4-amine
CID 80944536
6-(3,3-dimethylbutoxy)-N-ethylpyridin-2-amine
CID 80878218

Frequently Asked Questions

What is the IUPAC name of [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine?
The IUPAC name of [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine (CID 80922595) is [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine is CC(C)(C)CCOc1ccnc(NN)n1.
What is the InChIKey of [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine?
The InChIKey is WQVIXMIBBSLASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,3)5-7-15-8-4-6-12-9(13-8)14-11/h4,6H,5,7,11H2,1-3H3,(H,12,13,14).
What are the key properties of [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine?
[4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine has a molecular weight of 210.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3-dimethylbutoxy)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).