5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione

C11H12N4O3 — CID 174277909

IUPAC5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c1/C=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O3/c1-6-8(15(2)11(18)13-6)4-3-7-5-12-10(17)14-9(7)16/h3-5H,1-2H3,(H,13,18)(H2,12,14,16,17)/b4-3+
InChIKeyATZGHINRJQWATI-ONEGZZNKSA-N
MW248.24 g/mol
LogP-0.43
Rot. Bonds2

About 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione

5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione (PubChem CID 174277909) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione
PubChem CID174277909
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Name5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)n(C)c1/C=C/c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H12N4O3/c1-6-8(15(2)11(18)13-6)4-3-7-5-12-10(17)14-9(7)16/h3-5H,1-2H3,(H,13,18)(H2,12,14,16,17)/b4-3+
InChIKeyATZGHINRJQWATI-ONEGZZNKSA-N
XLogP-0.43
TPSA103.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione (CID 174277909) is 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)n(C)c1/C=C/c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is ATZGHINRJQWATI-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-6-8(15(2)11(18)13-6)4-3-7-5-12-10(17)14-9(7)16/h3-5H,1-2H3,(H,13,18)(H2,12,14,16,17)/b4-3+.
What are the key properties of 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione?
5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 248.24 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3,5-dimethyl-2-oxo-1H-imidazol-4-yl)ethenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 174277909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).