5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

C8H7N5O5 — CID 135659941

IUPAC5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C1CN(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)N1
InChIInChI=1S/C8H7N5O5/c14-4-2-13(8(18)10-4)9-1-3-5(15)11-7(17)12-6(3)16/h1H,2H2,(H,10,14,18)(H3,11,12,15,16,17)/b9-1+
InChIKeyISCANEMVCRBSSD-XLUWADSXSA-N
MW253.17 g/mol
LogP-2.35
Rot. Bonds2

About 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione

5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (PubChem CID 135659941) has the molecular formula C8H7N5O5 and a molecular weight of 253.17 g/mol. Its IUPAC name is 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
PubChem CID135659941
Molecular FormulaC8H7N5O5
Molecular Weight253.17 g/mol
Exact Mass253.04
IUPAC Name5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
SMILESO=C1CN(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)N1
InChIInChI=1S/C8H7N5O5/c14-4-2-13(8(18)10-4)9-1-3-5(15)11-7(17)12-6(3)16/h1H,2H2,(H,10,14,18)(H3,11,12,15,16,17)/b9-1+
InChIKeyISCANEMVCRBSSD-XLUWADSXSA-N
XLogP-2.35
TPSA147.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.17
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione (CID 135659941) is 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is O=C1CN(/N=C/c2c(O)[nH]c(=O)[nH]c2=O)C(=O)N1.
What is the InChIKey of 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
The InChIKey is ISCANEMVCRBSSD-XLUWADSXSA-N. The full InChI is InChI=1S/C8H7N5O5/c14-4-2-13(8(18)10-4)9-1-3-5(15)11-7(17)12-6(3)16/h1H,2H2,(H,10,14,18)(H3,11,12,15,16,17)/b9-1+.
What are the key properties of 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione?
5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione has a molecular weight of 253.17 g/mol, XLogP of -2.35, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(2,4-dioxoimidazolidin-1-yl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 135659941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).