[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

C12H20F2N4O — CID 103150532

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(CCOCC(F)F)nc(NN)c1C(C)C
InChIInChI=1S/C12H20F2N4O/c1-7(2)11-8(3)16-10(17-12(11)18-15)4-5-19-6-9(13)14/h7,9H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyFPDNOOXJAJVXBW-UHFFFAOYSA-N
MW274.31 g/mol
LogP2.02
Rot. Bonds7

About [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 103150532) has the molecular formula C12H20F2N4O and a molecular weight of 274.31 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID103150532
Molecular FormulaC12H20F2N4O
Molecular Weight274.31 g/mol
Exact Mass274.16
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCc1nc(CCOCC(F)F)nc(NN)c1C(C)C
InChIInChI=1S/C12H20F2N4O/c1-7(2)11-8(3)16-10(17-12(11)18-15)4-5-19-6-9(13)14/h7,9H,4-6,15H2,1-3H3,(H,16,17,18)
InChIKeyFPDNOOXJAJVXBW-UHFFFAOYSA-N
XLogP2.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 103150532) is [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is Cc1nc(CCOCC(F)F)nc(NN)c1C(C)C.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is FPDNOOXJAJVXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O/c1-7(2)11-8(3)16-10(17-12(11)18-15)4-5-19-6-9(13)14/h7,9H,4-6,15H2,1-3H3,(H,16,17,18).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 274.31 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-5-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).