5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

C10H10N4O5 — CID 66061161

IUPAC5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O5/c1-4-7(16)12-6(15)3-14(4)9(18)5-2-11-10(19)13-8(5)17/h2,4H,3H2,1H3,(H,12,15,16)(H2,11,13,17,19)
InChIKeySKZFKXWZNQZKEC-UHFFFAOYSA-N
MW266.21 g/mol
LogP-2.45
Rot. Bonds1

About 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione

5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 66061161) has the molecular formula C10H10N4O5 and a molecular weight of 266.21 g/mol. Its IUPAC name is 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID66061161
Molecular FormulaC10H10N4O5
Molecular Weight266.21 g/mol
Exact Mass266.07
IUPAC Name5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H10N4O5/c1-4-7(16)12-6(15)3-14(4)9(18)5-2-11-10(19)13-8(5)17/h2,4H,3H2,1H3,(H,12,15,16)(H2,11,13,17,19)
InChIKeySKZFKXWZNQZKEC-UHFFFAOYSA-N
XLogP-2.45
TPSA132.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 66061161) is 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is CC1C(=O)NC(=O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SKZFKXWZNQZKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O5/c1-4-7(16)12-6(15)3-14(4)9(18)5-2-11-10(19)13-8(5)17/h2,4H,3H2,1H3,(H,12,15,16)(H2,11,13,17,19).
What are the key properties of 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione?
5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 266.21 g/mol, XLogP of -2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-3,5-dioxopiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 66061161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).