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

C17H22N4 — CID 63482428

IUPAC[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(C)c(-c2nc3c(c(NN)n2)CCCCC3)c1
InChIInChI=1S/C17H22N4/c1-11-8-9-12(2)14(10-11)16-19-15-7-5-3-4-6-13(15)17(20-16)21-18/h8-10H,3-7,18H2,1-2H3,(H,19,20,21)
InChIKeyMJPKUEGKKLHBCW-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.31
Rot. Bonds2

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

[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (PubChem CID 63482428) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
PubChem CID63482428
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine
SMILESCc1ccc(C)c(-c2nc3c(c(NN)n2)CCCCC3)c1
InChIInChI=1S/C17H22N4/c1-11-8-9-12(2)14(10-11)16-19-15-7-5-3-4-6-13(15)17(20-16)21-18/h8-10H,3-7,18H2,1-2H3,(H,19,20,21)
InChIKeyMJPKUEGKKLHBCW-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.31
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-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine (CID 63482428) is [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is Cc1ccc(C)c(-c2nc3c(c(NN)n2)CCCCC3)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is MJPKUEGKKLHBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-8-9-12(2)14(10-11)16-19-15-7-5-3-4-6-13(15)17(20-16)21-18/h8-10H,3-7,18H2,1-2H3,(H,19,20,21).
What are the key properties of [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine?
[2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 282.39 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 63482428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).