N-propyl-N'-pyrimidin-2-yloxamide

C9H12N4O2 — CID 44996511

IUPACN-propyl-N'-pyrimidin-2-yloxamide
SMILESCCCNC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O2/c1-2-4-10-7(14)8(15)13-9-11-5-3-6-12-9/h3,5-6H,2,4H2,1H3,(H,10,14)(H,11,12,13,15)
InChIKeyWUYULXWUTLYYHI-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.06
Rot. Bonds3

About N-propyl-N'-pyrimidin-2-yloxamide

N-propyl-N'-pyrimidin-2-yloxamide (PubChem CID 44996511) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-propyl-N'-pyrimidin-2-yloxamide.

Molecular Properties

Compound NameN-propyl-N'-pyrimidin-2-yloxamide
PubChem CID44996511
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC NameN-propyl-N'-pyrimidin-2-yloxamide
SMILESCCCNC(=O)C(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O2/c1-2-4-10-7(14)8(15)13-9-11-5-3-6-12-9/h3,5-6H,2,4H2,1H3,(H,10,14)(H,11,12,13,15)
InChIKeyWUYULXWUTLYYHI-UHFFFAOYSA-N
XLogP-0.06
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methyl-2-pyridinyl)-N-propyloxamide
CID 44997048
N-(2-methylpropyl)-N'-pyrimidin-2-yloxamide
CID 44996585
N'-phenyl-N-propyloxamide
CID 2291438
N-pyrimidin-2-yltetradecanamide
CID 4052382
N-pyrimidin-2-ylnonanamide
CID 4089811
N'-pyrimidin-2-yl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512217
N-pyrimidin-2-ylundecanamide
CID 4180610
N-(2-acetamidoethyl)-N'-pyridin-2-yloxamide
CID 108525945
N-cyclopropyl-N'-pyrimidin-2-yloxamide
CID 44996583
6-(propylamino)-N-pyrimidin-2-ylpyridine-3-carboxamide
CID 62172448
butyl 2-[[2-oxo-2-(pyrimidin-2-ylamino)acetyl]amino]benzoate
CID 108514572
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211

Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-pyrimidin-2-yloxamide?
The IUPAC name of N-propyl-N'-pyrimidin-2-yloxamide (CID 44996511) is N-propyl-N'-pyrimidin-2-yloxamide.
What is the SMILES notation for N-propyl-N'-pyrimidin-2-yloxamide?
The canonical SMILES for N-propyl-N'-pyrimidin-2-yloxamide is CCCNC(=O)C(=O)Nc1ncccn1.
What is the InChIKey of N-propyl-N'-pyrimidin-2-yloxamide?
The InChIKey is WUYULXWUTLYYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-2-4-10-7(14)8(15)13-9-11-5-3-6-12-9/h3,5-6H,2,4H2,1H3,(H,10,14)(H,11,12,13,15).
What are the key properties of N-propyl-N'-pyrimidin-2-yloxamide?
N-propyl-N'-pyrimidin-2-yloxamide has a molecular weight of 208.22 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-pyrimidin-2-yloxamide is sourced from PubChem (CID 44996511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).