[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine

C12H22N4O — CID 116777566

IUPAC[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(C(CC)(CC)OC)n1
InChIInChI=1S/C12H22N4O/c1-5-9-8-10(16-13)15-11(14-9)12(6-2,7-3)17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyUVIDJYWXOFZWIB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.99
Rot. Bonds6

About [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine

[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine (PubChem CID 116777566) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
PubChem CID116777566
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1cc(NN)nc(C(CC)(CC)OC)n1
InChIInChI=1S/C12H22N4O/c1-5-9-8-10(16-13)15-11(14-9)12(6-2,7-3)17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16)
InChIKeyUVIDJYWXOFZWIB-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
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

(2-tert-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 62250326
2-(3-methoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116775773
[2-(2-methoxybutan-2-yl)-6-methylpyrimidin-4-yl]hydrazine
CID 116777510
[6-tert-butyl-2-(3-ethoxypentan-3-yl)pyrimidin-4-yl]hydrazine
CID 116777561
[2-(2-ethoxypropan-2-yl)-6-(2-methylpropyl)pyrimidin-4-yl]hydrazine
CID 116730455
[2-(3-methoxypentan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 116777670
N,N,4-triethyl-6-hydrazinylpyrimidin-2-amine
CID 62252185
6-ethyl-2-(2-methoxypropan-2-yl)pyrimidin-4-amine
CID 79197949
2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776158
4-ethyl-6-hydrazinyl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 94672765
[6-ethyl-2-(2-methylcyclopropyl)pyrimidin-4-yl]hydrazine
CID 65422175
(2-butyl-6-ethylpyrimidin-4-yl)hydrazine
CID 79413062

Frequently Asked Questions

What is the IUPAC name of [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine (CID 116777566) is [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine is CCc1cc(NN)nc(C(CC)(CC)OC)n1.
What is the InChIKey of [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is UVIDJYWXOFZWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-9-8-10(16-13)15-11(14-9)12(6-2,7-3)17-4/h8H,5-7,13H2,1-4H3,(H,14,15,16).
What are the key properties of [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine?
[6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 238.33 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-ethyl-2-(3-methoxypentan-3-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 116777566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).