6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

C13H14N4O2 — CID 6060872

IUPAC6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-16-11(8-12(18)17(2)13(16)19)15-14-9-10-6-4-3-5-7-10/h3-9,15H,1-2H3/b14-9-
InChIKeyJJGLJKFSBGYWFK-ZROIWOOFSA-N
MW258.28 g/mol
LogP0.53
Rot. Bonds3

About 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 6060872) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID6060872
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(N/N=C\c2ccccc2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H14N4O2/c1-16-11(8-12(18)17(2)13(16)19)15-14-9-10-6-4-3-5-7-10/h3-9,15H,1-2H3/b14-9-
InChIKeyJJGLJKFSBGYWFK-ZROIWOOFSA-N
XLogP0.53
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
CID 67268272
1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
CID 6273750
1,3-dimethyl-6-[(2Z)-2-(1-phenylethylidene)hydrazinyl]pyrimidine-2,4-dione
CID 134923438
ethyl (1E)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methanehydrazonate
CID 13081758
N-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-N'-phenylmethanimidamide
CID 13081759
6-(hydroxyamino)-1,3-dimethylpyrimidine-2,4-dione
CID 2785933
1,3-dimethyl-6-(4-methylanilino)pyrimidine-2,4-dione
CID 777113
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbutanamide
CID 2148511
4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
CID 121224099
N-(benzylideneamino)-1-methylbenzimidazol-2-amine
CID 589673
6-[(2E)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]hydrazinyl]-1-(4-fluorophenyl)-3-methylpyrimidine-2,4-dione
CID 135525432
1,3-dimethyl-6-[(E)-3-phenylprop-2-enyl]sulfanylpyrimidine-2,4-dione
CID 56689825

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione (CID 6060872) is 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(N/N=C\c2ccccc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JJGLJKFSBGYWFK-ZROIWOOFSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-16-11(8-12(18)17(2)13(16)19)15-14-9-10-6-4-3-5-7-10/h3-9,15H,1-2H3/b14-9-.
What are the key properties of 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 258.28 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 6060872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).