2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

C12H10Cl2N4O2 — CID 57381195

IUPAC2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C12H10Cl2N4O2/c13-9-2-1-3-10(14)8(9)6-17-12-15-4-7(5-16-12)11(19)18-20/h1-5,20H,6H2,(H,18,19)(H,15,16,17)
InChIKeyREJMYEDZDBQOLZ-UHFFFAOYSA-N
MW313.14 g/mol
LogP2.51
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide

2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57381195) has the molecular formula C12H10Cl2N4O2 and a molecular weight of 313.14 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57381195
Molecular FormulaC12H10Cl2N4O2
Molecular Weight313.14 g/mol
Exact Mass312.02
IUPAC Name2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C12H10Cl2N4O2/c13-9-2-1-3-10(14)8(9)6-17-12-15-4-7(5-16-12)11(19)18-20/h1-5,20H,6H2,(H,18,19)(H,15,16,17)
InChIKeyREJMYEDZDBQOLZ-UHFFFAOYSA-N
XLogP2.51
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 52.51
H-Bond Donors ≤ 53
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'}

Analyze 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57381195) is 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NCc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is REJMYEDZDBQOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O2/c13-9-2-1-3-10(14)8(9)6-17-12-15-4-7(5-16-12)11(19)18-20/h1-5,20H,6H2,(H,18,19)(H,15,16,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 313.14 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57381195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).