5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione

C15H12N4O4 — CID 11688187

IUPAC5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccccc2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H12N4O4/c20-12-9(6-16-14(22)18-12)11(8-4-2-1-3-5-8)10-7-17-15(23)19-13(10)21/h1-7,11H,(H2,16,18,20,22)(H2,17,19,21,23)
InChIKeyVZQXRKOEKUTFOT-UHFFFAOYSA-N
MW312.29 g/mol
LogP-0.38
Rot. Bonds3

About 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione

5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione (PubChem CID 11688187) has the molecular formula C15H12N4O4 and a molecular weight of 312.29 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
PubChem CID11688187
Molecular FormulaC15H12N4O4
Molecular Weight312.29 g/mol
Exact Mass312.09
IUPAC Name5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C(c2ccccc2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1
InChIInChI=1S/C15H12N4O4/c20-12-9(6-16-14(22)18-12)11(8-4-2-1-3-5-8)10-7-17-15(23)19-13(10)21/h1-7,11H,(H2,16,18,20,22)(H2,17,19,21,23)
InChIKeyVZQXRKOEKUTFOT-UHFFFAOYSA-N
XLogP-0.38
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione (CID 11688187) is 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C(c2ccccc2)c2c[nH]c(=O)[nH]c2=O)c(=O)[nH]1.
What is the InChIKey of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VZQXRKOEKUTFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O4/c20-12-9(6-16-14(22)18-12)11(8-4-2-1-3-5-8)10-7-17-15(23)19-13(10)21/h1-7,11H,(H2,16,18,20,22)(H2,17,19,21,23).
What are the key properties of 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione?
5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 312.29 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1H-pyrimidin-5-yl)-phenylmethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11688187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).