[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine

C10H15F3N4O — CID 82795276

IUPAC[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-2-7-8(17-14)15-6-16-9(7)18-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyPDMXUXAIACLLFK-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.05
Rot. Bonds6

About [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine

[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (PubChem CID 82795276) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
PubChem CID82795276
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1OCCCC(F)(F)F
InChIInChI=1S/C10H15F3N4O/c1-2-7-8(17-14)15-6-16-9(7)18-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H,15,16,17)
InChIKeyPDMXUXAIACLLFK-UHFFFAOYSA-N
XLogP2.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.05
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

5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
(5-ethyl-6-heptoxypyrimidin-4-yl)hydrazine
CID 80910142
N-ethyl-5-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794971
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
[5-ethyl-6-(3-methylbutan-2-yloxy)pyrimidin-4-yl]hydrazine
CID 80922712
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977
5-methyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794815
[5-ethyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl]hydrazine
CID 80910964
[6-[(4-chlorophenyl)methoxy]-5-ethylpyrimidin-4-yl]hydrazine
CID 80922291
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
[5-nitro-6-(3,3,3-trifluoropropoxy)pyrimidin-4-yl]hydrazine
CID 82957059
[5-ethyl-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-yl]hydrazine
CID 80913387

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine (CID 82795276) is [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1OCCCC(F)(F)F.
What is the InChIKey of [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
The InChIKey is PDMXUXAIACLLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-7-8(17-14)15-6-16-9(7)18-5-3-4-10(11,12)13/h6H,2-5,14H2,1H3,(H,15,16,17).
What are the key properties of [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine has a molecular weight of 264.25 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 82795276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).