N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide

C9H12N4O3 — CID 816927

IUPACN-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(C)=O)nc(NC(C)=O)n1
InChIInChI=1S/C9H12N4O3/c1-5(14)10-7-4-8(16-3)13-9(12-7)11-6(2)15/h4H,1-3H3,(H2,10,11,12,13,14,15)
InChIKeyUSJQNHDDZRTBPE-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.40
Rot. Bonds3

About N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide

N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide (PubChem CID 816927) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide
PubChem CID816927
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide
SMILESCOc1cc(NC(C)=O)nc(NC(C)=O)n1
InChIInChI=1S/C9H12N4O3/c1-5(14)10-7-4-8(16-3)13-9(12-7)11-6(2)15/h4H,1-3H3,(H2,10,11,12,13,14,15)
InChIKeyUSJQNHDDZRTBPE-UHFFFAOYSA-N
XLogP0.40
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide?
The IUPAC name of N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide (CID 816927) is N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide.
What is the SMILES notation for N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide?
The canonical SMILES for N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide is COc1cc(NC(C)=O)nc(NC(C)=O)n1.
What is the InChIKey of N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide?
The InChIKey is USJQNHDDZRTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c1-5(14)10-7-4-8(16-3)13-9(12-7)11-6(2)15/h4H,1-3H3,(H2,10,11,12,13,14,15).
What are the key properties of N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide?
N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide has a molecular weight of 224.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-6-methoxypyrimidin-4-yl)acetamide is sourced from PubChem (CID 816927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).