4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one

C14H20N4O — CID 135576766

IUPAC4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCC1=C/C(=N\Nc2nc(C)cc(=O)[nH]2)CC(C)(C)C1
InChIInChI=1S/C14H20N4O/c1-9-5-11(8-14(3,4)7-9)17-18-13-15-10(2)6-12(19)16-13/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)/b17-11+
InChIKeyAIRNPNVWGNYHBA-GZTJUZNOSA-N
MW260.34 g/mol
LogP2.61
Rot. Bonds2

About 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135576766) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135576766
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one
SMILESCC1=C/C(=N\Nc2nc(C)cc(=O)[nH]2)CC(C)(C)C1
InChIInChI=1S/C14H20N4O/c1-9-5-11(8-14(3,4)7-9)17-18-13-15-10(2)6-12(19)16-13/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)/b17-11+
InChIKeyAIRNPNVWGNYHBA-GZTJUZNOSA-N
XLogP2.61
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.61
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-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one (CID 135576766) is 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one is CC1=C/C(=N\Nc2nc(C)cc(=O)[nH]2)CC(C)(C)C1.
What is the InChIKey of 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is AIRNPNVWGNYHBA-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9-5-11(8-14(3,4)7-9)17-18-13-15-10(2)6-12(19)16-13/h5-6H,7-8H2,1-4H3,(H2,15,16,18,19)/b17-11+.
What are the key properties of 4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2Z)-2-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 260.34 g/mol, XLogP of 2.61, 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-(3,5,5-trimethylcyclohex-2-en-1-ylidene)hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135576766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).