4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

C11H12N4OS — CID 135457178

IUPAC4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2sccc2C)n1
InChIInChI=1S/C11H12N4OS/c1-7-3-4-17-9(7)6-12-15-11-13-8(2)5-10(16)14-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyVARYQVLCDBKQNL-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.89
Rot. Bonds3

About 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135457178) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135457178
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(NN=Cc2sccc2C)n1
InChIInChI=1S/C11H12N4OS/c1-7-3-4-17-9(7)6-12-15-11-13-8(2)5-10(16)14-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyVARYQVLCDBKQNL-UHFFFAOYSA-N
XLogP1.89
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.89
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

2-[(2Z)-2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136788008
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
2-[2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135495945
2-[(2E)-2-[(2,3-dihydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135824191
2-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135509497
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
2-[(2Z)-2-(furan-2-ylmethylidene)hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135747235
2-[(2Z)-2-[(3,4-difluorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135722664
4-methyl-2-[2-(pyridin-2-ylmethylidene)hydrazinyl]-1H-pyrimidin-6-one
CID 135543410
4-methyl-2-[(2E)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135454398

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135457178) is 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(NN=Cc2sccc2C)n1.
What is the InChIKey of 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is VARYQVLCDBKQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-7-3-4-17-9(7)6-12-15-11-13-8(2)5-10(16)14-11/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 248.31 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135457178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).