5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione

C8H12N4O2 — CID 135455284

IUPAC5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=N/N(C)C
InChIInChI=1S/C8H12N4O2/c1-5-6(4-9-12(2)3)7(13)11-8(14)10-5/h4H,1-3H3,(H2,10,11,13,14)/b9-4+
InChIKeyTYRDGFCAHLZNJZ-RUDMXATFSA-N
MW196.21 g/mol
LogP-0.73
Rot. Bonds2

About 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 135455284) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID135455284
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1/C=N/N(C)C
InChIInChI=1S/C8H12N4O2/c1-5-6(4-9-12(2)3)7(13)11-8(14)10-5/h4H,1-3H3,(H2,10,11,13,14)/b9-4+
InChIKeyTYRDGFCAHLZNJZ-RUDMXATFSA-N
XLogP-0.73
TPSA81.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-[(Z)-[bis(2-hydroxyethyl)hydrazinylidene]methyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 135455277
methyl N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]carbamate
CID 135710723
(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid
CID 743193
(2S,3S)-2-amino-3-methyl-N-[(Z)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 136732583
(2S)-2-amino-3-methyl-N-[(E)-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]pentanamide
CID 135651544
4-[(dimethylhydrazinylidene)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 867753
[1-[2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]azanium
CID 4920974
6-methyl-5-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67893557
6-hydroxy-5-[(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)iminomethyl]-1H-pyrimidine-2,4-dione
CID 171982597
(2S)-2-amino-N-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]-3-phenylpropanamide
CID 936687
6-methyl-5-methylsulfanyl-1H-pyrimidine-2,4-dione
CID 12535961
5-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 137262645

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 135455284) is 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1/C=N/N(C)C.
What is the InChIKey of 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is TYRDGFCAHLZNJZ-RUDMXATFSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-5-6(4-9-12(2)3)7(13)11-8(14)10-5/h4H,1-3H3,(H2,10,11,13,14)/b9-4+.
What are the key properties of 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 196.21 g/mol, XLogP of -0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(dimethylhydrazinylidene)methyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135455284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).