N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide

C8H11N3O2 — CID 45119271

IUPACN-(1-ethyl-2-oxopyrimidin-4-yl)acetamide
SMILESCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C8H11N3O2/c1-3-11-5-4-7(9-6(2)12)10-8(11)13/h4-5H,3H2,1-2H3,(H,9,10,12,13)
InChIKeyOVPDGKPJFCGEDH-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.22
Rot. Bonds2

About N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide

N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 45119271) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID45119271
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(1-ethyl-2-oxopyrimidin-4-yl)acetamide
SMILESCCn1ccc(NC(C)=O)nc1=O
InChIInChI=1S/C8H11N3O2/c1-3-11-5-4-7(9-6(2)12)10-8(11)13/h4-5H,3H2,1-2H3,(H,9,10,12,13)
InChIKeyOVPDGKPJFCGEDH-UHFFFAOYSA-N
XLogP0.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide (CID 45119271) is N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide is CCn1ccc(NC(C)=O)nc1=O.
What is the InChIKey of N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is OVPDGKPJFCGEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-11-5-4-7(9-6(2)12)10-8(11)13/h4-5H,3H2,1-2H3,(H,9,10,12,13).
What are the key properties of N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide?
N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 45119271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).