5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide

C11H10ClN5O — CID 107589721

IUPAC5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1cncnc1
InChIInChI=1S/C11H10ClN5O/c12-9-2-6(13)1-8(11(14)18)10(9)17-7-3-15-5-16-4-7/h1-5,17H,13H2,(H2,14,18)
InChIKeyDBNMIYULFTYZRR-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.55
Rot. Bonds3

About 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide

5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide (PubChem CID 107589721) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
PubChem CID107589721
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1Nc1cncnc1
InChIInChI=1S/C11H10ClN5O/c12-9-2-6(13)1-8(11(14)18)10(9)17-7-3-15-5-16-4-7/h1-5,17H,13H2,(H2,14,18)
InChIKeyDBNMIYULFTYZRR-UHFFFAOYSA-N
XLogP1.55
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-(pyridin-3-ylamino)benzoic acid
CID 107192541
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
5-amino-3-chloro-2-(2-chloroanilino)benzamide
CID 107193224
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(2-chloro-4-fluoroanilino)benzamide
CID 107192270
5-amino-2-(1-benzothiophen-5-ylamino)-3-chlorobenzamide
CID 107196129
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-2-(4-bromo-2,3-dichloroanilino)-3-chlorobenzamide
CID 107792965
5-amino-2-(2-bromo-4-chloroanilino)-3-chlorobenzamide
CID 107196396
5-amino-2-(5-bromo-2-methoxyanilino)-3-chlorobenzamide
CID 107195194
5-amino-2,3-dichlorobenzamide
CID 107183127
5-amino-3-chloro-2-(4-fluoro-2-methylanilino)benzamide
CID 107193351

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide (CID 107589721) is 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide is NC(=O)c1cc(N)cc(Cl)c1Nc1cncnc1.
What is the InChIKey of 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide?
The InChIKey is DBNMIYULFTYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-9-2-6(13)1-8(11(14)18)10(9)17-7-3-15-5-16-4-7/h1-5,17H,13H2,(H2,14,18).
What are the key properties of 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide?
5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide has a molecular weight of 263.69 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(pyrimidin-5-ylamino)benzamide is sourced from PubChem (CID 107589721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).