N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

C8H11N3O2 — CID 135725016

IUPACN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-4-7(11-6(3)12)8(13)10-5(2)9-4/h1-3H3,(H,11,12)(H,9,10,13)
InChIKeyGNXOROQIJDYHCO-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.35
Rot. Bonds1

About N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide

N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (PubChem CID 135725016) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
PubChem CID135725016
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC NameN-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
SMILESCC(=O)Nc1c(C)nc(C)[nH]c1=O
InChIInChI=1S/C8H11N3O2/c1-4-7(11-6(3)12)8(13)10-5(2)9-4/h1-3H3,(H,11,12)(H,9,10,13)
InChIKeyGNXOROQIJDYHCO-UHFFFAOYSA-N
XLogP0.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The IUPAC name of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide (CID 135725016) is N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The canonical SMILES for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is CC(=O)Nc1c(C)nc(C)[nH]c1=O.
What is the InChIKey of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
The InChIKey is GNXOROQIJDYHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-7(11-6(3)12)8(13)10-5(2)9-4/h1-3H3,(H,11,12)(H,9,10,13).
What are the key properties of N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide?
N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide has a molecular weight of 181.19 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide is sourced from PubChem (CID 135725016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).