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

C7H9N3O2 — CID 69022221

IUPACN-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C7H9N3O2/c1-5(11)8-6-3-4-10(2)7(12)9-6/h3-4H,1-2H3,(H,8,9,11,12)
InChIKeyUHMXDXYQTAXVMJ-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.26
Rot. Bonds1

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

N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 69022221) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-methyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID69022221
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)Nc1ccn(C)c(=O)n1
InChIInChI=1S/C7H9N3O2/c1-5(11)8-6-3-4-10(2)7(12)9-6/h3-4H,1-2H3,(H,8,9,11,12)
InChIKeyUHMXDXYQTAXVMJ-UHFFFAOYSA-N
XLogP-0.26
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (CID 69022221) is N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is CC(=O)Nc1ccn(C)c(=O)n1.
What is the InChIKey of N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is UHMXDXYQTAXVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(11)8-6-3-4-10(2)7(12)9-6/h3-4H,1-2H3,(H,8,9,11,12).
What are the key properties of N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
N-(1-methyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 69022221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).