N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C7H9N3O2 — CID 135426857

IUPACN-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)nc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-4-6(10-5(2)11)7(12)9-3-8-4/h3H,1-2H3,(H,10,11)(H,8,9,12)
InChIKeyDUZGNGQABFBAHP-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.04
Rot. Bonds1

About N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135426857) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135426857
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)nc[nH]c1=O
InChIInChI=1S/C7H9N3O2/c1-4-6(10-5(2)11)7(12)9-3-8-4/h3H,1-2H3,(H,10,11)(H,8,9,12)
InChIKeyDUZGNGQABFBAHP-UHFFFAOYSA-N
XLogP0.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135426857) is N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(C)nc[nH]c1=O.
What is the InChIKey of N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is DUZGNGQABFBAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-4-6(10-5(2)11)7(12)9-3-8-4/h3H,1-2H3,(H,10,11)(H,8,9,12).
What are the key properties of N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 167.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135426857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).