4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide

C8H11N3O5 — CID 171898858

IUPAC4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O5/c9-5(13)1-4(12)6(14)3-2-10-8(16)11-7(3)15/h2,4,6,12,14H,1H2,(H2,9,13)(H2,10,11,15,16)
InChIKeyBIDLIALGGVUSGB-UHFFFAOYSA-N
MW229.19 g/mol
LogP-2.67
Rot. Bonds4

About 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide

4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide (PubChem CID 171898858) has the molecular formula C8H11N3O5 and a molecular weight of 229.19 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
PubChem CID171898858
Molecular FormulaC8H11N3O5
Molecular Weight229.19 g/mol
Exact Mass229.07
IUPAC Name4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide
SMILESNC(=O)CC(O)C(O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O5/c9-5(13)1-4(12)6(14)3-2-10-8(16)11-7(3)15/h2,4,6,12,14H,1H2,(H2,9,13)(H2,10,11,15,16)
InChIKeyBIDLIALGGVUSGB-UHFFFAOYSA-N
XLogP-2.67
TPSA149.27 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.19
LogP ≤ 5-2.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide (CID 171898858) is 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide is NC(=O)CC(O)C(O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide?
The InChIKey is BIDLIALGGVUSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O5/c9-5(13)1-4(12)6(14)3-2-10-8(16)11-7(3)15/h2,4,6,12,14H,1H2,(H2,9,13)(H2,10,11,15,16).
What are the key properties of 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide?
4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide has a molecular weight of 229.19 g/mol, XLogP of -2.67, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-pyrimidin-5-yl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171898858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).