N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide

C7H8N4O4 — CID 135677719

IUPACN-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C7H8N4O4/c1-3-5(11(14)15)6(13)10-7(8-3)9-4(2)12/h1-2H3,(H2,8,9,10,12,13)
InChIKeyFTUUKELCLGAATN-UHFFFAOYSA-N
MW212.16 g/mol
LogP-0.06
Rot. Bonds2

About N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide

N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide (PubChem CID 135677719) has the molecular formula C7H8N4O4 and a molecular weight of 212.16 g/mol. Its IUPAC name is N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
PubChem CID135677719
Molecular FormulaC7H8N4O4
Molecular Weight212.16 g/mol
Exact Mass212.05
IUPAC NameN-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide
SMILESCC(=O)Nc1nc(C)c([N+](=O)[O-])c(=O)[nH]1
InChIInChI=1S/C7H8N4O4/c1-3-5(11(14)15)6(13)10-7(8-3)9-4(2)12/h1-2H3,(H2,8,9,10,12,13)
InChIKeyFTUUKELCLGAATN-UHFFFAOYSA-N
XLogP-0.06
TPSA117.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The IUPAC name of N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide (CID 135677719) is N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide is CC(=O)Nc1nc(C)c([N+](=O)[O-])c(=O)[nH]1.
What is the InChIKey of N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
The InChIKey is FTUUKELCLGAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O4/c1-3-5(11(14)15)6(13)10-7(8-3)9-4(2)12/h1-2H3,(H2,8,9,10,12,13).
What are the key properties of N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide?
N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide has a molecular weight of 212.16 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-nitro-6-oxo-1H-pyrimidin-2-yl)acetamide is sourced from PubChem (CID 135677719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).