6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione

C12H12N4O2 — CID 67268272

IUPAC6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NN=Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N4O2/c1-16-11(17)7-10(14-12(16)18)15-13-8-9-5-3-2-4-6-9/h2-8,15H,1H3,(H,14,18)
InChIKeyBDXCAHNOPXAULY-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.52
Rot. Bonds3

About 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione

6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 67268272) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID67268272
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(NN=Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C12H12N4O2/c1-16-11(17)7-10(14-12(16)18)15-13-8-9-5-3-2-4-6-9/h2-8,15H,1H3,(H,14,18)
InChIKeyBDXCAHNOPXAULY-UHFFFAOYSA-N
XLogP0.52
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.52
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'}

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Related Compounds

6-[(2Z)-2-benzylidenehydrazinyl]-1,3-dimethylpyrimidine-2,4-dione
CID 6060872
8-(2-benzylidenehydrazinyl)-7-ethyl-3-methylpurine-2,6-dione
CID 5149414
8-(2-benzylidenehydrazinyl)-7-(3-chlorobut-2-enyl)-3-methylpurine-2,6-dione
CID 3104108
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
8-(2-benzylidenehydrazinyl)-7-[(2-chlorophenyl)methyl]-3-methylpurine-2,6-dione
CID 171133682
8-(2-benzylidenehydrazinyl)-3-methyl-7-pentylpurine-2,6-dione
CID 3097628
6-[[(3-chlorophenyl)methylideneamino]-methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 67307294
8-(2-benzylidenehydrazinyl)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CID 3811766
3-methyl-6-[12-[(3-methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]dodecylamino]-1H-pyrimidine-2,4-dione
CID 13161715
7-benzyl-8-[2-[(4-chlorophenyl)methylidene]hydrazinyl]-3-methylpurine-2,6-dione
CID 3370192
4-[(2E)-2-benzylidenehydrazinyl]-1-methyl-1,3,5-triazin-2-one
CID 121224099
2-amino-4-(2-benzylidenehydrazinyl)-1H-pyrimidin-6-one
CID 137186661

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione (CID 67268272) is 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(NN=Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is BDXCAHNOPXAULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-11(17)7-10(14-12(16)18)15-13-8-9-5-3-2-4-6-9/h2-8,15H,1H3,(H,14,18).
What are the key properties of 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione?
6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 244.25 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzylidenehydrazinyl)-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 67268272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).