[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

C16H19FN4 — CID 63481875

IUPAC[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(-c2nc3c(c(NN)n2)CCCCC3)ccc1F
InChIInChI=1S/C16H19FN4/c1-10-9-11(7-8-13(10)17)15-19-14-6-4-2-3-5-12(14)16(20-15)21-18/h7-9H,2-6,18H2,1H3,(H,19,20,21)
InChIKeyBTYNVQKGTKVGCA-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.15
Rot. Bonds2

About [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine

[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 63481875) has the molecular formula C16H19FN4 and a molecular weight of 286.35 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID63481875
Molecular FormulaC16H19FN4
Molecular Weight286.35 g/mol
Exact Mass286.16
IUPAC Name[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCc1cc(-c2nc3c(c(NN)n2)CCCCC3)ccc1F
InChIInChI=1S/C16H19FN4/c1-10-9-11(7-8-13(10)17)15-19-14-6-4-2-3-5-12(14)16(20-15)21-18/h7-9H,2-6,18H2,1H3,(H,19,20,21)
InChIKeyBTYNVQKGTKVGCA-UHFFFAOYSA-N
XLogP3.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 63481875) is [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is Cc1cc(-c2nc3c(c(NN)n2)CCCCC3)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is BTYNVQKGTKVGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4/c1-10-9-11(7-8-13(10)17)15-19-14-6-4-2-3-5-12(14)16(20-15)21-18/h7-9H,2-6,18H2,1H3,(H,19,20,21).
What are the key properties of [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 286.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63481875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).