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

C11H10N4O2 — CID 135603822

IUPAC5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/C=N/Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c16-10-8(6-12-11(17)14-10)7-13-15-9-4-2-1-3-5-9/h1-7,15H,(H2,12,14,16,17)/b13-7+
InChIKeyKUCAEENKTLDCGM-NTUHNPAUSA-N
MW230.23 g/mol
LogP0.51
Rot. Bonds3

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

5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 135603822) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
PubChem CID135603822
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(/C=N/Nc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H10N4O2/c16-10-8(6-12-11(17)14-10)7-13-15-9-4-2-1-3-5-9/h1-7,15H,(H2,12,14,16,17)/b13-7+
InChIKeyKUCAEENKTLDCGM-NTUHNPAUSA-N
XLogP0.51
TPSA90.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.51
H-Bond Donors ≤ 53
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

6-hydroxy-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione
CID 135455301
[(E)-(2,4-dioxo-1H-pyrimidin-5-yl)methylideneamino]thiourea
CID 135455411
5-methanehydrazonoyl-1H-pyrimidine-2,4-dione
CID 137221150
N-[(E)-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)methylideneamino]aniline
CID 170661137
3-[(phenylhydrazinylidene)methyl]-1H-quinoxalin-2-one
CID 137201303
2,4-dimethyl-5-[(Z)-(phenylhydrazinylidene)methyl]-1H-pyrimidin-6-one
CID 135455303
5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
CID 150870731
N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371316
2-[[(4-methylphenyl)hydrazinylidene]methyl]benzoic acid
CID 110840968
5-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
CID 14914593
N-[(2,5-difluorophenyl)methylideneamino]aniline
CID 169381510
N-(1-benzothiophen-3-ylmethylideneamino)aniline
CID 68863120

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione (CID 135603822) is 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(/C=N/Nc2ccccc2)c(=O)[nH]1.
What is the InChIKey of 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is KUCAEENKTLDCGM-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-10-8(6-12-11(17)14-10)7-13-15-9-4-2-1-3-5-9/h1-7,15H,(H2,12,14,16,17)/b13-7+.
What are the key properties of 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione?
5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 230.23 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135603822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).