6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione

C8H10N4O3 — CID 88959545

IUPAC6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCN(C)/C=C/c1[nH]c(=O)[nH]c(=O)c1N=O
InChIInChI=1S/C8H10N4O3/c1-12(2)4-3-5-6(11-15)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3+
InChIKeyVDWFJCVTFUHGGM-ONEGZZNKSA-N
MW210.19 g/mol
LogP-0.01
Rot. Bonds3

About 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione

6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione (PubChem CID 88959545) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione
PubChem CID88959545
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione
SMILESCN(C)/C=C/c1[nH]c(=O)[nH]c(=O)c1N=O
InChIInChI=1S/C8H10N4O3/c1-12(2)4-3-5-6(11-15)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3+
InChIKeyVDWFJCVTFUHGGM-ONEGZZNKSA-N
XLogP-0.01
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(E)-2-(dimethylamino)vinyl]-5-nitropyrimidine-2,4-diol
CID 5816188
6-[2-(dimethylamino)ethenyl]-5-nitro-1H-pyrimidine-2,4-dione
CID 3403552
6-(2-Dimethylaminovinyl) pyrimidinedione
CID 156598310
1,3-Dimethyl-6-[2-(dimethylamino)vinyl]-5-nitrouracil
CID 1083476
6-[(E)-2-(dimethylamino)ethenyl]-1,3-dimethyl-5-nitropyrimidine-2,4(1H,3H)-dione
CID 1083477
3,6-diamino-4-[ethenyl(methyl)amino]-1H-pyridin-2-one
CID 163596715
6-amino-4-(ethylamino)-3-nitroso-1H-pyridin-2-one
CID 3729838
dimethyl-[2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]azanium
CID 5043628
dimethyl-[(E)-2-(5-nitro-2,4-dioxo-1H-pyrimidin-6-yl)ethenyl]azanium
CID 6256467
6-[[4-(nitrosomethylidene)-1-pyridinyl]methyl]-1H-pyrimidine-2,4-dione
CID 6506581
[(E)-2-(1,3-dimethyl-5-nitro-2,6-dioxopyrimidin-4-yl)ethenyl]-dimethylazanium
CID 6964602
N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7467806

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione (CID 88959545) is 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione is CN(C)/C=C/c1[nH]c(=O)[nH]c(=O)c1N=O.
What is the InChIKey of 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione?
The InChIKey is VDWFJCVTFUHGGM-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-12(2)4-3-5-6(11-15)7(13)10-8(14)9-5/h3-4H,1-2H3,(H2,9,10,13,14)/b4-3+.
What are the key properties of 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione?
6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione has a molecular weight of 210.19 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(dimethylamino)ethenyl]-5-nitroso-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 88959545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).