6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

C10H9ClN4O2 — CID 90678606

IUPAC6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Cl)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)
InChIKeyDQBWIQLCKSSUDF-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.16
Rot. Bonds3

About 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 90678606) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID90678606
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NNc2ccc(Cl)cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H9ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17)
InChIKeyDQBWIQLCKSSUDF-UHFFFAOYSA-N
XLogP1.16
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione 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

6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385880
2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-
CID 385881
(E)-5-(2-(2-chlorophenyl)hydrazono)-2-hydroxy-6-imino-5,6-dihydropyrimidin-4(3H)-one
CID 3650612
Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-
CID 388636
6-(2-Phenylhydrazino)-2,4-pyrimidinediol
CID 385885
6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385886
6-[2-(3,4-dichlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione
CID 90678614
6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385878
6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol
CID 385879
1-Acetyl-4-(4-CL phenyl) semicarbazide
CID 86934
Uracil, 3-methyl-6-(phenylhydrazino)-
CID 385874

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione (CID 90678606) is 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is O=c1cc(NNc2ccc(Cl)cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is DQBWIQLCKSSUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-6-1-3-7(4-2-6)14-15-8-5-9(16)13-10(17)12-8/h1-5,14H,(H3,12,13,15,16,17).
What are the key properties of 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 252.66 g/mol, XLogP of 1.16, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-chlorophenyl)hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 90678606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).