(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine

C16H27FN4O2 — CID 167110254

IUPAC(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine
SMILESCOc1ncc(CC(CC(C)C)C(C)/C(CF)=N\N)c(OC)n1
InChIInChI=1S/C16H27FN4O2/c1-10(2)6-12(11(3)14(8-17)21-18)7-13-9-19-16(23-5)20-15(13)22-4/h9-12H,6-8,18H2,1-5H3/b21-14-
InChIKeyAIUCQLRQAVOYPE-STZFKDTASA-N
MW326.42 g/mol
LogP2.62
Rot. Bonds9

About (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine

(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine (PubChem CID 167110254) has the molecular formula C16H27FN4O2 and a molecular weight of 326.42 g/mol. Its IUPAC name is (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine.

Molecular Properties

Compound Name(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine
PubChem CID167110254
Molecular FormulaC16H27FN4O2
Molecular Weight326.42 g/mol
Exact Mass326.21
IUPAC Name(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine
SMILESCOc1ncc(CC(CC(C)C)C(C)/C(CF)=N\N)c(OC)n1
InChIInChI=1S/C16H27FN4O2/c1-10(2)6-12(11(3)14(8-17)21-18)7-13-9-19-16(23-5)20-15(13)22-4/h9-12H,6-8,18H2,1-5H3/b21-14-
InChIKeyAIUCQLRQAVOYPE-STZFKDTASA-N
XLogP2.62
TPSA82.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine?
The IUPAC name of (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine (CID 167110254) is (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine.
What is the SMILES notation for (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine?
The canonical SMILES for (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine is COc1ncc(CC(CC(C)C)C(C)/C(CF)=N\N)c(OC)n1.
What is the InChIKey of (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine?
The InChIKey is AIUCQLRQAVOYPE-STZFKDTASA-N. The full InChI is InChI=1S/C16H27FN4O2/c1-10(2)6-12(11(3)14(8-17)21-18)7-13-9-19-16(23-5)20-15(13)22-4/h9-12H,6-8,18H2,1-5H3/b21-14-.
What are the key properties of (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine?
(E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine has a molecular weight of 326.42 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[4-[(2,4-dimethoxypyrimidin-5-yl)methyl]-1-fluoro-3,6-dimethylheptan-2-ylidene]hydrazine is sourced from PubChem (CID 167110254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).