N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide

C9H12N4O5 — CID 42581170

IUPACN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O5/c14-3-1-2-10-7(16)8(17)12-5-4-11-9(18)13-6(5)15/h4,14H,1-3H2,(H,10,16)(H,12,17)(H2,11,13,15,18)
InChIKeyAGDLHWKBFYIMMU-UHFFFAOYSA-N
MW256.22 g/mol
LogP-2.50
Rot. Bonds4

About N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide

N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide (PubChem CID 42581170) has the molecular formula C9H12N4O5 and a molecular weight of 256.22 g/mol. Its IUPAC name is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide
PubChem CID42581170
Molecular FormulaC9H12N4O5
Molecular Weight256.22 g/mol
Exact Mass256.08
IUPAC NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H12N4O5/c14-3-1-2-10-7(16)8(17)12-5-4-11-9(18)13-6(5)15/h4,14H,1-3H2,(H,10,16)(H,12,17)(H2,11,13,15,18)
InChIKeyAGDLHWKBFYIMMU-UHFFFAOYSA-N
XLogP-2.50
TPSA144.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 5-2.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide?
The IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide (CID 42581170) is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide?
The InChIKey is AGDLHWKBFYIMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O5/c14-3-1-2-10-7(16)8(17)12-5-4-11-9(18)13-6(5)15/h4,14H,1-3H2,(H,10,16)(H,12,17)(H2,11,13,15,18).
What are the key properties of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide?
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide has a molecular weight of 256.22 g/mol, XLogP of -2.50, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 42581170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).