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

C12H18N4O — CID 135460318

IUPAC4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCCCC2C)n1
InChIInChI=1S/C12H18N4O/c1-8-5-3-4-6-10(8)15-16-12-13-9(2)7-11(17)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)/b15-10-
InChIKeyARUSYOXABALNOD-GDNBJRDFSA-N
MW234.30 g/mol
LogP2.06
Rot. Bonds2

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

4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135460318) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135460318
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N/N=C2/CCCCC2C)n1
InChIInChI=1S/C12H18N4O/c1-8-5-3-4-6-10(8)15-16-12-13-9(2)7-11(17)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)/b15-10-
InChIKeyARUSYOXABALNOD-GDNBJRDFSA-N
XLogP2.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.06
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 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135460318) is 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N/N=C2/CCCCC2C)n1.
What is the InChIKey of 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is ARUSYOXABALNOD-GDNBJRDFSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-5-3-4-6-10(8)15-16-12-13-9(2)7-11(17)14-12/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17)/b15-10-.
What are the key properties of 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2Z)-2-(2-methylcyclohexylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135460318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).