2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one

C11H16N4O — CID 135491018

IUPAC2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2CCCCC2)n1
InChIInChI=1S/C11H16N4O/c1-8-7-10(16)13-11(12-8)15-14-9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyVHMFWROFBFWIGM-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.81
Rot. Bonds2

About 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one

2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135491018) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135491018
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2CCCCC2)n1
InChIInChI=1S/C11H16N4O/c1-8-7-10(16)13-11(12-8)15-14-9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H2,12,13,15,16)
InChIKeyVHMFWROFBFWIGM-UHFFFAOYSA-N
XLogP1.81
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.81
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-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one (CID 135491018) is 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=C2CCCCC2)n1.
What is the InChIKey of 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VHMFWROFBFWIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-7-10(16)13-11(12-8)15-14-9-5-3-2-4-6-9/h7H,2-6H2,1H3,(H2,12,13,15,16).
What are the key properties of 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one?
2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 220.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).