2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium

C10H17N3O4 — CID 44661571

IUPAC2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium
SMILESCCC(=O)c1c([O-])[nH]c(=O)[nH]c1=O.C[NH+](C)C
InChIInChI=1S/C7H8N2O4.C3H9N/c1-2-3(10)4-5(11)8-7(13)9-6(4)12;1-4(2)3/h2H2,1H3,(H3,8,9,11,12,13);1-3H3
InChIKeySGXZAWUDSHYTBR-UHFFFAOYSA-N
MW243.26 g/mol
LogP-2.51
Rot. Bonds2

About 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium

2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium (PubChem CID 44661571) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium.

Molecular Properties

Compound Name2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium
PubChem CID44661571
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium
SMILESCCC(=O)c1c([O-])[nH]c(=O)[nH]c1=O.C[NH+](C)C
InChIInChI=1S/C7H8N2O4.C3H9N/c1-2-3(10)4-5(11)8-7(13)9-6(4)12;1-4(2)3/h2H2,1H3,(H3,8,9,11,12,13);1-3H3
InChIKeySGXZAWUDSHYTBR-UHFFFAOYSA-N
XLogP-2.51
TPSA110.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-2.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-butanoyl-6-hydroxy-1H-pyrimidine-2,4-dione
CID 658361
6-hydroxy-1,3-dimethyl-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 885401
1,3,6-Trimethyl-2,4,5-trioxo-7-dimethylamino-8h-pyrido[2,3-d]pyrimidine
CID 14568950
5-Acetyl-formylamino-3-methyluracil
CID 129664531
6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 1385843
3-Cycloheptyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
CID 40619861
3-Cyclohexyl-6-hydroxy-2-oxo-5-propanoyl-2,3-dihydropyrimidin-4-olate
CID 44820679
N,N-dimethylmethanamine;6-hydroxy-5-propanoyl-1H-pyrimidine-2,4-dione
CID 137209076
N-(5-acetyl-3-methyl-2,6-dioxopyrimidin-4-yl)formamide
CID 18941787
3-(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-3-oxopropanamide
CID 123664398
3-(6-Amino-1-methyl-2,4-dioxopyrimidin-5-yl)-3-oxopropanamide
CID 123689547
6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4(1H,3H)-dione
CID 909121

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium?
The IUPAC name of 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium (CID 44661571) is 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium.
What is the SMILES notation for 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium?
The canonical SMILES for 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium is CCC(=O)c1c([O-])[nH]c(=O)[nH]c1=O.C[NH+](C)C.
What is the InChIKey of 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium?
The InChIKey is SGXZAWUDSHYTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4.C3H9N/c1-2-3(10)4-5(11)8-7(13)9-6(4)12;1-4(2)3/h2H2,1H3,(H3,8,9,11,12,13);1-3H3.
What are the key properties of 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium?
2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium has a molecular weight of 243.26 g/mol, XLogP of -2.51, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-5-propanoyl-1H-pyrimidin-6-olate;trimethylazanium is sourced from PubChem (CID 44661571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).