N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide

C11H17N3O2 — CID 70866379

IUPACN-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
SMILESCCCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h6,8H,3-5,7H2,1-2H3,(H,12,13,15,16)
InChIKeyDBFGDRBULSZRJC-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.39
Rot. Bonds5

About N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide

N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide (PubChem CID 70866379) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
PubChem CID70866379
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-oxo-1-pentylpyrimidin-4-yl)acetamide
SMILESCCCCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h6,8H,3-5,7H2,1-2H3,(H,12,13,15,16)
InChIKeyDBFGDRBULSZRJC-UHFFFAOYSA-N
XLogP1.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide (CID 70866379) is N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide is CCCCCn1ccc(NC(C)=O)nc1=O.
What is the InChIKey of N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide?
The InChIKey is DBFGDRBULSZRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-5-7-14-8-6-10(12-9(2)15)13-11(14)16/h6,8H,3-5,7H2,1-2H3,(H,12,13,15,16).
What are the key properties of N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide?
N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide has a molecular weight of 223.28 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-pentylpyrimidin-4-yl)acetamide is sourced from PubChem (CID 70866379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).