4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C20H20N4O2 — CID 136733569

IUPAC4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-15(9-11-17)13-21-24-20-22-18(12-19(25)23-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24,25)/b21-13+
InChIKeyRVTAGEMNQUPHHE-FYJGNVAPSA-N
MW348.41 g/mol
LogP3.67
Rot. Bonds6

About 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 136733569) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID136733569
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCC(C)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-15(9-11-17)13-21-24-20-22-18(12-19(25)23-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24,25)/b21-13+
InChIKeyRVTAGEMNQUPHHE-FYJGNVAPSA-N
XLogP3.67
TPSA79.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136791126
2-[(2E)-2-[(4-ethylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732974
2-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136732929
2-[(2E)-2-[(3-butoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733657
2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733007
2-[(2Z)-2-[(3-chloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136788184
2-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733134
2-[(2E)-2-[(4-butoxy-3-ethoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136733579
2-[(2Z)-2-[(3-methoxy-5-nitro-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4-(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 136788312
4-phenyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 27273511
2-[(2Z)-2-[(3-methoxy-4-propoxyphenyl)methylidene]hydrazinyl]-4-phenyl-1H-pyrimidin-6-one
CID 136920862
6-methyl-3-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135810812

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 136733569) is 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is CC(C)Oc1ccc(/C=N/Nc2nc(-c3ccccc3)cc(=O)[nH]2)cc1.
What is the InChIKey of 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is RVTAGEMNQUPHHE-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(2)26-17-10-8-15(9-11-17)13-21-24-20-22-18(12-19(25)23-20)16-6-4-3-5-7-16/h3-14H,1-2H3,(H2,22,23,24,25)/b21-13+.
What are the key properties of 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 348.41 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(2E)-2-[(4-propan-2-yloxyphenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136733569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).