2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one

C13H12Cl2N4O3 — CID 136787886

IUPAC2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N/N=C\c2cc(Cl)c(O)c(Cl)c2O)[nH]c(=O)c1C
InChIInChI=1S/C13H12Cl2N4O3/c1-5-6(2)17-13(18-12(5)22)19-16-4-7-3-8(14)11(21)9(15)10(7)20/h3-4,20-21H,1-2H3,(H2,17,18,19,22)/b16-4-
InChIKeyFVGQTQVXFMVNDF-XRVIQIRUSA-N
MW343.17 g/mol
LogP2.55
Rot. Bonds3

About 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 136787886) has the molecular formula C13H12Cl2N4O3 and a molecular weight of 343.17 g/mol. Its IUPAC name is 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID136787886
Molecular FormulaC13H12Cl2N4O3
Molecular Weight343.17 g/mol
Exact Mass342.03
IUPAC Name2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCc1nc(N/N=C\c2cc(Cl)c(O)c(Cl)c2O)[nH]c(=O)c1C
InChIInChI=1S/C13H12Cl2N4O3/c1-5-6(2)17-13(18-12(5)22)19-16-4-7-3-8(14)11(21)9(15)10(7)20/h3-4,20-21H,1-2H3,(H2,17,18,19,22)/b16-4-
InChIKeyFVGQTQVXFMVNDF-XRVIQIRUSA-N
XLogP2.55
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-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-[(3,5-dichloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787887
2-[(2Z)-2-[(3-chloro-4-hydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787815
2-[(2Z)-2-[(2-bromo-3-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787784
2-[(2E)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 140896075
2-[(2Z)-2-[(2,3-dichlorophenyl)methylidene]hydrazinyl]-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136788698
2-[(2Z)-2-[(3-chloro-4-ethoxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787866
2-[(2Z)-2-[(3-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136787917
2-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824191
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
5-(2-hydroxyethyl)-2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 136788533
2-[2-[(5-chloro-2-hydroxy-4-methyl-3-nitrophenyl)methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168570874
4,5-dimethyl-2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 136787941

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 136787886) is 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one is Cc1nc(N/N=C\c2cc(Cl)c(O)c(Cl)c2O)[nH]c(=O)c1C.
What is the InChIKey of 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is FVGQTQVXFMVNDF-XRVIQIRUSA-N. The full InChI is InChI=1S/C13H12Cl2N4O3/c1-5-6(2)17-13(18-12(5)22)19-16-4-7-3-8(14)11(21)9(15)10(7)20/h3-4,20-21H,1-2H3,(H2,17,18,19,22)/b16-4-.
What are the key properties of 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 343.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[(3,5-dichloro-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136787886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).