N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide

C8H11N3O3 — CID 166926759

IUPACN-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C8H11N3O3/c1-2-6(12)9-4-5-10-7(13)3-8(14)11-5/h2-4H2,1H3,(H,9,12)(H,10,11,13,14)
InChIKeyHKHHKNOXIMIUGL-UHFFFAOYSA-N
MW197.19 g/mol
LogP-1.04
Rot. Bonds3

About N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide

N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide (PubChem CID 166926759) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide
PubChem CID166926759
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide
SMILESCCC(=O)NCC1=NC(=O)CC(=O)N1
InChIInChI=1S/C8H11N3O3/c1-2-6(12)9-4-5-10-7(13)3-8(14)11-5/h2-4H2,1H3,(H,9,12)(H,10,11,13,14)
InChIKeyHKHHKNOXIMIUGL-UHFFFAOYSA-N
XLogP-1.04
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide?
The IUPAC name of N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide (CID 166926759) is N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide?
The canonical SMILES for N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide is CCC(=O)NCC1=NC(=O)CC(=O)N1.
What is the InChIKey of N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide?
The InChIKey is HKHHKNOXIMIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-6(12)9-4-5-10-7(13)3-8(14)11-5/h2-4H2,1H3,(H,9,12)(H,10,11,13,14).
What are the key properties of N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide?
N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide has a molecular weight of 197.19 g/mol, XLogP of -1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dioxo-1H-pyrimidin-2-yl)methyl]propanamide is sourced from PubChem (CID 166926759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).