6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione

C11H9N5O4 — CID 3578212

IUPAC6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9N5O4/c17-10-5-9(13-11(18)14-10)15-12-6-7-1-3-8(4-2-7)16(19)20/h1-6H,(H3,13,14,15,17,18)
InChIKeyNWAVHYWBVZZPAV-UHFFFAOYSA-N
MW275.22 g/mol
LogP0.42
Rot. Bonds4

About 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione

6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione (PubChem CID 3578212) has the molecular formula C11H9N5O4 and a molecular weight of 275.22 g/mol. Its IUPAC name is 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
PubChem CID3578212
Molecular FormulaC11H9N5O4
Molecular Weight275.22 g/mol
Exact Mass275.07
IUPAC Name6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1
InChIInChI=1S/C11H9N5O4/c17-10-5-9(13-11(18)14-10)15-12-6-7-1-3-8(4-2-7)16(19)20/h1-6H,(H3,13,14,15,17,18)
InChIKeyNWAVHYWBVZZPAV-UHFFFAOYSA-N
XLogP0.42
TPSA133.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 86207768
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
2,3,5,6-tetrafluoro-N-[(4-nitrophenyl)methylideneamino]aniline
CID 3888449
N-[(E)-benzylideneamino]-4-nitroaniline
CID 6436771
4,6-dimethyl-N-[(4-nitrophenyl)methylideneamino]pyrimidin-2-amine
CID 1420807
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
2-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697078
4-N-[(E)-(4-nitrophenyl)methylideneamino]-1-N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazine-1,4-diamine
CID 98511539
4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 7329457
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione (CID 3578212) is 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione is O=c1cc(NN=Cc2ccc([N+](=O)[O-])cc2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione?
The InChIKey is NWAVHYWBVZZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O4/c17-10-5-9(13-11(18)14-10)15-12-6-7-1-3-8(4-2-7)16(19)20/h1-6H,(H3,13,14,15,17,18).
What are the key properties of 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione?
6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione has a molecular weight of 275.22 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-nitrophenyl)methylidene]hydrazinyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 3578212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).