N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide

C11H13N3O2 — CID 100999368

IUPACN-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide
SMILESC#CCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C11H13N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h1,6,8H,4-5,7H2,2H3,(H,12,13,15,16)
InChIKeyDQOOHFUFGCHFSI-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.62
Rot. Bonds4

About N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide

N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide (PubChem CID 100999368) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide
PubChem CID100999368
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide
SMILESC#CCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C11H13N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h1,6,8H,4-5,7H2,2H3,(H,12,13,15,16)
InChIKeyDQOOHFUFGCHFSI-UHFFFAOYSA-N
XLogP0.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide (CID 100999368) is N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide is C#CCCCn1ccc(NC(C)=O)nc1=O.
What is the InChIKey of N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide?
The InChIKey is DQOOHFUFGCHFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h1,6,8H,4-5,7H2,2H3,(H,12,13,15,16).
What are the key properties of N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide?
N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-pent-4-ynylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 100999368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).