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

C8H11N3O2 — CID 121227402

IUPACN-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)N(C)c1ccn(C)c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-6(12)11(3)7-4-5-10(2)8(13)9-7/h4-5H,1-3H3
InChIKeyNWVJFQJDTRMLRI-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.24
Rot. Bonds1

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

N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (PubChem CID 121227402) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
PubChem CID121227402
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide
SMILESCC(=O)N(C)c1ccn(C)c(=O)n1
InChIInChI=1S/C8H11N3O2/c1-6(12)11(3)7-4-5-10(2)8(13)9-7/h4-5H,1-3H3
InChIKeyNWVJFQJDTRMLRI-UHFFFAOYSA-N
XLogP-0.24
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The IUPAC name of N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide (CID 121227402) is N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide.
What is the SMILES notation for N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The canonical SMILES for N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is CC(=O)N(C)c1ccn(C)c(=O)n1.
What is the InChIKey of N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
The InChIKey is NWVJFQJDTRMLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(12)11(3)7-4-5-10(2)8(13)9-7/h4-5H,1-3H3.
What are the key properties of N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide?
N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of -0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methyl-2-oxopyrimidin-4-yl)acetamide is sourced from PubChem (CID 121227402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).