2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C15H24N4O — CID 135475001

IUPAC2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-10-9-13(20)17-14(16-10)19-18-12-7-5-11(6-8-12)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,17,19,20)/b18-12-
InChIKeyKOZKVEPZEHRGNL-PDGQHHTCSA-N
MW276.38 g/mol
LogP3.08
Rot. Bonds2

About 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135475001) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135475001
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=C2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H24N4O/c1-10-9-13(20)17-14(16-10)19-18-12-7-5-11(6-8-12)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,17,19,20)/b18-12-
InChIKeyKOZKVEPZEHRGNL-PDGQHHTCSA-N
XLogP3.08
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.08
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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Related Compounds

2-[2-(2-adamantylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135443251
4-methyl-2-[2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135400643
2-[2-(2,6-dimethylheptan-4-ylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135401282
4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135460318
4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135576766
4-Methyl-2-pentanone (4-hydroxy-6-methyl-2-pyrimidinyl)hydrazone
CID 135429819
4-methyl-2-(2-nonan-2-ylidenehydrazinyl)-1H-pyrimidin-6-one
CID 135510461
4-methyl-2-[2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135527757
4-methyl-2-[(2E)-2-nonan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one
CID 135676282
2-(2-Cyclohexylidenehydrazinyl)-6-methylpyrimidin-4-ol
CID 135491018
6-Methyl-2-(2-(4-methylpentan-2-ylidene)hydrazinyl)pyrimidin-4-ol
CID 135801925
4-methyl-2-[(2E)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 136140121

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135475001) is 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=C2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KOZKVEPZEHRGNL-PDGQHHTCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-9-13(20)17-14(16-10)19-18-12-7-5-11(6-8-12)15(2,3)4/h9,11H,5-8H2,1-4H3,(H2,16,17,19,20)/b18-12-.
What are the key properties of 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylcyclohexylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135475001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).