2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C18H20N4O — CID 135676154

IUPAC2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCCC/C2=C\c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-17(23)20-18(19-13)22-21-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,19,20,22,23)/b15-12+,21-16-
InChIKeyDXIMYKQTORJPML-LRFXARPXSA-N
MW308.39 g/mol
LogP3.50
Rot. Bonds3

About 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135676154) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135676154
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCCC/C2=C\c2ccccc2)n1
InChIInChI=1S/C18H20N4O/c1-13-11-17(23)20-18(19-13)22-21-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,19,20,22,23)/b15-12+,21-16-
InChIKeyDXIMYKQTORJPML-LRFXARPXSA-N
XLogP3.50
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135676154) is 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C2/CCCC/C2=C\c2ccccc2)n1.
What is the InChIKey of 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DXIMYKQTORJPML-LRFXARPXSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-11-17(23)20-18(19-13)22-21-16-10-6-5-9-15(16)12-14-7-3-2-4-8-14/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H2,19,20,22,23)/b15-12+,21-16-.
What are the key properties of 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 308.39 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(2E)-2-benzylidenecyclohexylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135676154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).