N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C8H11N3O5 — CID 139062267

IUPACN,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCN(C)C=O.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.C3H7NO/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3-5/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3
InChIKeyZOBJUMYEGPZSMU-UHFFFAOYSA-N
MW229.19 g/mol
LogP-1.53
Rot. Bonds2

About N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid

N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 139062267) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound NameN,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID139062267
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC NameN,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESCN(C)C=O.O=C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H4N2O4.C3H7NO/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3-5/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3
InChIKeyZOBJUMYEGPZSMU-UHFFFAOYSA-N
XLogP-1.53
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-Tetrahydro-2,4-dioxo-5-pyrimidinecarboxylic acid
CID 90301
3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 253771
1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 13052842
1-Octyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 20540629
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
3-(2-Carboxyethyl)thymine
CID 173282
3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propanoic acid
CID 1519563
1-Cyclopropyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 55255033
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 253770
1-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid
CID 19696230
2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid--water (1/1)
CID 21116606
5-Carboxyuracil dimethyl sulfoxide monosolvate
CID 139062268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 139062267) is N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid is CN(C)C=O.O=C(O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ZOBJUMYEGPZSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C3H7NO/c8-3-2(4(9)10)1-6-5(11)7-3;1-4(2)3-5/h1H,(H,9,10)(H2,6,7,8,11);3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 229.19 g/mol, XLogP of -1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 139062267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).