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

C13H12Cl2N4O2 — CID 57381421

IUPAC2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H12Cl2N4O2/c14-10-2-1-3-11(15)9(10)4-5-16-13-17-6-8(7-18-13)12(20)19-21/h1-3,6-7,21H,4-5H2,(H,19,20)(H,16,17,18)
InChIKeyURNAJSRCJGAVQR-UHFFFAOYSA-N
MW327.17 g/mol
LogP2.56
Rot. Bonds5

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

2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 57381421) has the molecular formula C13H12Cl2N4O2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID57381421
Molecular FormulaC13H12Cl2N4O2
Molecular Weight327.17 g/mol
Exact Mass326.03
IUPAC Name2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NCCc2c(Cl)cccc2Cl)nc1
InChIInChI=1S/C13H12Cl2N4O2/c14-10-2-1-3-11(15)9(10)4-5-16-13-17-6-8(7-18-13)12(20)19-21/h1-3,6-7,21H,4-5H2,(H,19,20)(H,16,17,18)
InChIKeyURNAJSRCJGAVQR-UHFFFAOYSA-N
XLogP2.56
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 52.56
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'}

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-hydroxypyrimidine-5-carboxamide
CID 57380747
2-(2,3-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 74763642
N-(3,4-dichlorophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259606
N-(2,3-dichlorophenyl)-2-(pentylamino)pyrimidine-5-carboxamide
CID 109263849
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-[2-(3-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247342
2-(3,4-dichloroanilino)-N-hydroxypyrimidine-5-carboxamide
CID 57380055
N-(2,3-dichlorophenyl)-2-(2-morpholin-4-ylethylamino)pyrimidine-5-carboxamide
CID 109253299
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
2-(benzylamino)-N-(2,3-dichlorophenyl)pyrimidine-5-carboxamide
CID 109255517
2-[2-(4-chlorophenyl)ethylamino]-N-cyclopropylpyrimidine-5-carboxamide
CID 109247312

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide (CID 57381421) is 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NCCc2c(Cl)cccc2Cl)nc1.
What is the InChIKey of 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is URNAJSRCJGAVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2/c14-10-2-1-3-11(15)9(10)4-5-16-13-17-6-8(7-18-13)12(20)19-21/h1-3,6-7,21H,4-5H2,(H,19,20)(H,16,17,18).
What are the key properties of 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide?
2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 327.17 g/mol, XLogP of 2.56, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichlorophenyl)ethylamino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 57381421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).