5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione

C12H11N3O2 — CID 5358559

IUPAC5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione
SMILESNc1c(/C=C/c2ccccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O2/c13-10-9(14-12(17)15-11(10)16)7-6-8-4-2-1-3-5-8/h1-7H,13H2,(H2,14,15,16,17)/b7-6+
InChIKeyBLRLERAKVOXQLW-VOTSOKGWSA-N
MW229.24 g/mol
LogP0.82
Rot. Bonds2

About 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione

5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione (PubChem CID 5358559) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione
PubChem CID5358559
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione
SMILESNc1c(/C=C/c2ccccc2)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H11N3O2/c13-10-9(14-12(17)15-11(10)16)7-6-8-4-2-1-3-5-8/h1-7H,13H2,(H2,14,15,16,17)/b7-6+
InChIKeyBLRLERAKVOXQLW-VOTSOKGWSA-N
XLogP0.82
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione (CID 5358559) is 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione is Nc1c(/C=C/c2ccccc2)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione?
The InChIKey is BLRLERAKVOXQLW-VOTSOKGWSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-10-9(14-12(17)15-11(10)16)7-6-8-4-2-1-3-5-8/h1-7H,13H2,(H2,14,15,16,17)/b7-6+.
What are the key properties of 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione?
5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(E)-2-phenylethenyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 5358559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).