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

C8H11N3O2 — CID 156598310

IUPAC6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)C=Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-11(2)4-3-6-5-7(12)10-8(13)9-6/h3-5H,1-2H3,(H2,9,10,12,13)
InChIKeyJPIAWVNFZABZFG-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.40
Rot. Bonds2

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

6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione (PubChem CID 156598310) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione
PubChem CID156598310
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione
SMILESCN(C)C=Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C8H11N3O2/c1-11(2)4-3-6-5-7(12)10-8(13)9-6/h3-5H,1-2H3,(H2,9,10,12,13)
InChIKeyJPIAWVNFZABZFG-UHFFFAOYSA-N
XLogP-0.40
TPSA68.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione (CID 156598310) is 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione is CN(C)C=Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JPIAWVNFZABZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)4-3-6-5-7(12)10-8(13)9-6/h3-5H,1-2H3,(H2,9,10,12,13).
What are the key properties of 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione?
6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 181.19 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 156598310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).