2-amino-N-pyrimidin-5-ylbenzamide

C11H10N4O — CID 107587397

IUPAC2-amino-N-pyrimidin-5-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1cncnc1
InChIInChI=1S/C11H10N4O/c12-10-4-2-1-3-9(10)11(16)15-8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16)
InChIKeyZTASMKBEKUGZHO-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.31
Rot. Bonds2

About 2-amino-N-pyrimidin-5-ylbenzamide

2-amino-N-pyrimidin-5-ylbenzamide (PubChem CID 107587397) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-amino-N-pyrimidin-5-ylbenzamide.

Molecular Properties

Compound Name2-amino-N-pyrimidin-5-ylbenzamide
PubChem CID107587397
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-amino-N-pyrimidin-5-ylbenzamide
SMILESNc1ccccc1C(=O)Nc1cncnc1
InChIInChI=1S/C11H10N4O/c12-10-4-2-1-3-9(10)11(16)15-8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16)
InChIKeyZTASMKBEKUGZHO-UHFFFAOYSA-N
XLogP1.31
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-pyridin-4-ylbenzamide
CID 5080262
2-(pyrimidin-5-ylcarbamoyl)benzoic acid
CID 107587534
5-[(2-aminobenzoyl)amino]pyridine-3-carboxylic acid
CID 63154147
N-pyrimidin-5-ylbenzamide
CID 68971843
5-amino-2-bromo-N-pyrimidin-5-ylbenzamide
CID 107587335
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
2-amino-N-[2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]benzamide
CID 71601154
methyl N-[4-[(2-aminobenzoyl)amino]phenyl]carbamate
CID 61213394
2-amino-N-(3-hydroxyphenyl)benzamide
CID 3596059
2-amino-N-[6-(dimethylamino)-3-pyridinyl]benzamide
CID 61215269
2-amino-N-(5-bromo-2-pyridinyl)benzamide
CID 13348356
2-amino-N-(3-carbamoylphenyl)benzamide
CID 43402945

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-pyrimidin-5-ylbenzamide?
The IUPAC name of 2-amino-N-pyrimidin-5-ylbenzamide (CID 107587397) is 2-amino-N-pyrimidin-5-ylbenzamide.
What is the SMILES notation for 2-amino-N-pyrimidin-5-ylbenzamide?
The canonical SMILES for 2-amino-N-pyrimidin-5-ylbenzamide is Nc1ccccc1C(=O)Nc1cncnc1.
What is the InChIKey of 2-amino-N-pyrimidin-5-ylbenzamide?
The InChIKey is ZTASMKBEKUGZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-10-4-2-1-3-9(10)11(16)15-8-5-13-7-14-6-8/h1-7H,12H2,(H,15,16).
What are the key properties of 2-amino-N-pyrimidin-5-ylbenzamide?
2-amino-N-pyrimidin-5-ylbenzamide has a molecular weight of 214.23 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-pyrimidin-5-ylbenzamide is sourced from PubChem (CID 107587397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).