N-hydroxy-6-methoxypyrimidine-4-carboxamide

C6H7N3O3 — CID 89156710

IUPACN-hydroxy-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NO)ncn1
InChIInChI=1S/C6H7N3O3/c1-12-5-2-4(6(10)9-11)7-3-8-5/h2-3,11H,1H3,(H,9,10)
InChIKeyKRHLBQGSVZUGAV-UHFFFAOYSA-N
MW169.14 g/mol
LogP-0.40
Rot. Bonds2

About N-hydroxy-6-methoxypyrimidine-4-carboxamide

N-hydroxy-6-methoxypyrimidine-4-carboxamide (PubChem CID 89156710) has the molecular formula C6H7N3O3 and a molecular weight of 169.14 g/mol. Its IUPAC name is N-hydroxy-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-methoxypyrimidine-4-carboxamide
PubChem CID89156710
Molecular FormulaC6H7N3O3
Molecular Weight169.14 g/mol
Exact Mass169.05
IUPAC NameN-hydroxy-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NO)ncn1
InChIInChI=1S/C6H7N3O3/c1-12-5-2-4(6(10)9-11)7-3-8-5/h2-3,11H,1H3,(H,9,10)
InChIKeyKRHLBQGSVZUGAV-UHFFFAOYSA-N
XLogP-0.40
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-hydroxy-6-methoxypyrimidine-4-carboxamide (CID 89156710) is N-hydroxy-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-hydroxy-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NO)ncn1.
What is the InChIKey of N-hydroxy-6-methoxypyrimidine-4-carboxamide?
The InChIKey is KRHLBQGSVZUGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3/c1-12-5-2-4(6(10)9-11)7-3-8-5/h2-3,11H,1H3,(H,9,10).
What are the key properties of N-hydroxy-6-methoxypyrimidine-4-carboxamide?
N-hydroxy-6-methoxypyrimidine-4-carboxamide has a molecular weight of 169.14 g/mol, XLogP of -0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 89156710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).