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

C6H7N3O3 — CID 11819433

IUPACN-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-4(10)8-9-3-2-5(11)7-6(9)12/h2-3H,1H3,(H,8,10)(H,7,11,12)
InChIKeyPEVKNDZTCMHYFG-UHFFFAOYSA-N
MW169.14 g/mol
LogP-1.37
Rot. Bonds1

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

N-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 11819433) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID11819433
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC NameN-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESCC(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C6H7N3O3/c1-4(10)8-9-3-2-5(11)7-6(9)12/h2-3H,1H3,(H,8,10)(H,7,11,12)
InChIKeyPEVKNDZTCMHYFG-UHFFFAOYSA-N
XLogP-1.37
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2,4-dioxopyrimidin-1-yl)acetamide (CID 11819433) is N-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2,4-dioxopyrimidin-1-yl)acetamide is CC(=O)Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is PEVKNDZTCMHYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-4(10)8-9-3-2-5(11)7-6(9)12/h2-3H,1H3,(H,8,10)(H,7,11,12).
What are the key properties of N-(2,4-dioxopyrimidin-1-yl)acetamide?
N-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 169.14 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 11819433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).