N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C6H7N3O3 — CID 136599315

IUPACN-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(O)C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H7N3O3/c1-9(12)6(11)4-2-5(10)8-3-7-4/h2-3,12H,1H3,(H,7,8,10)
InChIKeyHXXCVVLBXZUXHY-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.77
Rot. Bonds1

About N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136599315) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136599315
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC NameN-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCN(O)C(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C6H7N3O3/c1-9(12)6(11)4-2-5(10)8-3-7-4/h2-3,12H,1H3,(H,7,8,10)
InChIKeyHXXCVVLBXZUXHY-UHFFFAOYSA-N
XLogP-0.77
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 136599315) is N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is CN(O)C(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is HXXCVVLBXZUXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-9(12)6(11)4-2-5(10)8-3-7-4/h2-3,12H,1H3,(H,7,8,10).
What are the key properties of N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136599315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).