N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide

C7H8N4O4 — CID 63812524

IUPACN-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N4O4/c8-6(14)9-5(13)3-11-2-1-4(12)10-7(11)15/h1-2H,3H2,(H,10,12,15)(H3,8,9,13,14)
InChIKeyRQCCFHTWIJYLGS-UHFFFAOYSA-N
MW212.16 g/mol
LogP-2.27
Rot. Bonds2

About N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 63812524) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID63812524
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC NameN-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C7H8N4O4/c8-6(14)9-5(13)3-11-2-1-4(12)10-7(11)15/h1-2H,3H2,(H,10,12,15)(H3,8,9,13,14)
InChIKeyRQCCFHTWIJYLGS-UHFFFAOYSA-N
XLogP-2.27
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-2.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)acetohydrazide
CID 43236986
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
N-cyclopropyl-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 37345436
ethyl 4-(2,4-dioxopyrimidin-1-yl)-3-oxobutanoate
CID 63898906
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
2-(2,4-dioxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39953760
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 119608805
N-(3-carbamothioylphenyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 28945240
6-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 63642049
2-(2,4-dioxopyrimidin-1-yl)-N-(1-hydroxypentan-3-yl)acetamide
CID 113264415

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 63812524) is N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is NC(=O)NC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is RQCCFHTWIJYLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c8-6(14)9-5(13)3-11-2-1-4(12)10-7(11)15/h1-2H,3H2,(H,10,12,15)(H3,8,9,13,14).
What are the key properties of N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 212.16 g/mol, XLogP of -2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 63812524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).