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

C12H14N6O4 — CID 42536590

IUPACN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H14N6O4/c19-9-8(6-15-12(22)17-9)16-11(21)10(20)14-2-1-4-18-5-3-13-7-18/h3,5-7H,1-2,4H2,(H,14,20)(H,16,21)(H2,15,17,19,22)
InChIKeyIHDOACFEMFCPAJ-UHFFFAOYSA-N
MW306.28 g/mol
LogP-1.60
Rot. Bonds5

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

N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide (PubChem CID 42536590) has the molecular formula C12H14N6O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide.

Molecular Properties

Compound NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
PubChem CID42536590
Molecular FormulaC12H14N6O4
Molecular Weight306.28 g/mol
Exact Mass306.11
IUPAC NameN'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide
SMILESO=C(NCCCn1ccnc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H14N6O4/c19-9-8(6-15-12(22)17-9)16-11(21)10(20)14-2-1-4-18-5-3-13-7-18/h3,5-7H,1-2,4H2,(H,14,20)(H,16,21)(H2,15,17,19,22)
InChIKeyIHDOACFEMFCPAJ-UHFFFAOYSA-N
XLogP-1.60
TPSA141.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 2883621
N'-(2,3-dimethylphenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3145465
N'-(2,3-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)oxamide
CID 3107625
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N'-(2,4-dioxo-1H-pyrimidin-5-yl)oxamide
CID 42535377
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 136641378
N-(3-imidazol-1-ylpropyl)-N'-(3-methylphenyl)oxamide
CID 2890255
3-imidazol-1-ylpropylurea
CID 22179621
1-(2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-3-(3-imidazol-1-ylpropyl)urea
CID 72883787
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)acetamide
CID 136905749

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide?
The IUPAC name of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide (CID 42536590) is N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide.
What is the SMILES notation for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide?
The canonical SMILES for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide is O=C(NCCCn1ccnc1)C(=O)Nc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide?
The InChIKey is IHDOACFEMFCPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4/c19-9-8(6-15-12(22)17-9)16-11(21)10(20)14-2-1-4-18-5-3-13-7-18/h3,5-7H,1-2,4H2,(H,14,20)(H,16,21)(H2,15,17,19,22).
What are the key properties of N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide?
N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide has a molecular weight of 306.28 g/mol, XLogP of -1.60, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-dioxo-1H-pyrimidin-5-yl)-N-(3-imidazol-1-ylpropyl)oxamide is sourced from PubChem (CID 42536590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).